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Also known as: 917389-21-0, Methyl 2-(8-fluoro-3-(2-methoxy-5-(trifluoromethyl)phenyl)-2-oxo-1,2,3,4-tetrahydroquinazolin-4-yl)acetate, Schembl8746748, Cs-m2410, Akos037650396, Cs-14745
Molecular Formula
C19H16F4N2O4
Molecular Weight
412.3  g/mol
InChI Key
ZOBYBACEALCILX-UHFFFAOYSA-N

CAS 1240948-77-9
1 2D Structure

CAS 1240948-77-9

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
methyl 2-[8-fluoro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-1,4-dihydroquinazolin-4-yl]acetate
2.1.2 InChI
InChI=1S/C19H16F4N2O4/c1-28-15-7-6-10(19(21,22)23)8-14(15)25-13(9-16(26)29-2)11-4-3-5-12(20)17(11)24-18(25)27/h3-8,13H,9H2,1-2H3,(H,24,27)
2.1.3 InChI Key
ZOBYBACEALCILX-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=C(C=C(C=C1)C(F)(F)F)N2C(C3=C(C(=CC=C3)F)NC2=O)CC(=O)OC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 917389-21-0

2. Methyl 2-(8-fluoro-3-(2-methoxy-5-(trifluoromethyl)phenyl)-2-oxo-1,2,3,4-tetrahydroquinazolin-4-yl)acetate

3. Schembl8746748

4. Cs-m2410

5. Akos037650396

6. Cs-14745

7. C12718

8. 4-quinazolineacetic Acid,8-fluoro-1,2,3,4-tetrahydro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-,methyl Ester

9. Methyl {8-fluoro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-1,2,3,4-tetrahydroquinazolin-4-yl}acetate

10. Methyl 2-[8-fluoro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-1,4-dihydroquinazolin-4-yl]acetate

11. Methyl{8-fluoro-3-[2-methoxy-5-(trifluoromethyl)phenyl]-2-oxo-1,2,3,4-tetrahydroquinazolin-4-yl}acetate

12. Methyl2-(8-fluoro-3-(2-methoxy-5-(trifluoromethyl)phenyl)-2-oxo-1,2,3,4-tetrahydroquinazolin-4-yl)acetate

2.3 Create Date
2007-02-05
3 Chemical and Physical Properties
Molecular Weight 412.3 g/mol
Molecular Formula C19H16F4N2O4
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass412.10461964 g/mol
Monoisotopic Mass412.10461964 g/mol
Topological Polar Surface Area67.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity618
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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Virtual BoothChina's leading API and intermediate manufacturer, offering CMO/CDMO services and exports to 70+ countries, enhancing global health.

2-(8-fluoro-3-(2-methoxy-5- (trifluoromethyl)pheny...

CAS Number : 917389-21-0

End Use API :

About the Company : Shandong Chenghui Shuangda Pharmaceutical Co., Ltd. is specialized in R&D and production of APIs and advanced intermediates. With 22 years of production experience,the company has 6 wor...

Shandong Chenghui Shuangda Pharmaceutical

02

  • fda
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  • WHO-GMP

Virtual BoothChina's leading API and intermediate manufacturer, offering CMO/CDMO services and exports to 70+ countries, enhancing global health.

5-(2-fluorophenyl)-1H-pyrrole-3- carbonitrile

CAS Number : 1240948-77-9

End Use API :

About the Company : Shandong Chenghui Shuangda Pharmaceutical Co., Ltd. is specialized in R&D and production of APIs and advanced intermediates. With 22 years of production experience,the company has 6 wor...

Shandong Chenghui Shuangda Pharmaceutical

03

  • fda
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Virtual BoothJinan Tantu Chemicals offers customized R&D services & production of small molecule APIs & pharmaceutical intermediates.

4-Quinazolineacetic acid, 8-fluoro-1,2,3,4-tetrah...

CAS Number : 917389-21-0

End Use API :

About the Company : Jinan Tantu Chemicals Co., Ltd. operates as a Contract Development and Manufacturing Organization (CDMO) that serves pharmaceutical companies worldwide. Our core services include custom...

Jinan Tantu Chemicals

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5-(2-Fluorophenyl)-1H-pyrrole-3-carbonitrile

CAS Number : 1240948-77-9

End Use API :

About the Company : We are one of the well-known manufacturers of key APIs & intermediates in China, with 20 years of experience & presence in 20+ countries. At Boyuan, we are committed to providing high-q...

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