CAS 314771-88-5

LGM Pharma accelerates & optimizes the new product pathway from early development through commercialization.

Virtual Booth

Contact Supplier

Munit offers scalable GMP micronization and particle size engineering to enhance drug solubility, bioavailability, and performance.

CHEMISTRY

Discover Molecule Insights

BUILDING BLOCK

1 Suppliers, 1 End Use APIs, 28 Related Intermediates

1 Suppliers
1 End Use APIs
28 Related Intermediates

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 314771-88-5, (s)-n-(3-chloro-4-fluorophenyl)-6-nitro-7-(tetrahydrofuran-3-yloxy)quinazolin-4-amine, 4-quinazolinamine, n-(3-chloro-4-fluorophenyl)-6-nitro-7-[[(3s)-tetrahydro-3-furanyl]oxy]-, N-(3-chloro-4-fluorophenyl)-6-nitro-7-[(3s)-oxolan-3-yl]oxyquinazolin-4-amine, N-(3-chloro-4-fluorophenyl)-6-nitro-7-(((3s)-tetrahydro-3-furanyl)oxy)-4-quinazolinamine, N-(3-chloro-4-fluorophenyl)-6-nitro-7-[[(3s)-tetrahydro-3-furanyl]oxy]-4-quinazolinamine

Molecular Formula

C₁₈H₁₄ClFN₄O₄

Molecular Weight

404.8 g/mol

InChI Key

UXAZURVGMXJLSO-NSHDSACASA-N

1 2D Structure

CAS 314771-88-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-(3-chloro-4-fluorophenyl)-6-nitro-7-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine

2.1.2 InChI

InChI=1S/C18H14ClFN4O4/c19-13-5-10(1-2-14(13)20)23-18-12-6-16(24(25)26)17(7-15(12)21-9-22-18)28-11-3-4-27-8-11/h1-2,5-7,9,11H,3-4,8H2,(H,21,22,23)/t11-/m0/s1

2.1.3 InChI Key

UXAZURVGMXJLSO-NSHDSACASA-N

2.1.4 Canonical SMILES

C1COCC1OC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)[N+](=O)[O-]

2.1.5 Isomeric SMILES

C1COC[C@H]1OC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)F)Cl)[N+](=O)[O-]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 314771-88-5

2. (s)-n-(3-chloro-4-fluorophenyl)-6-nitro-7-(tetrahydrofuran-3-yloxy)quinazolin-4-amine

3. 4-quinazolinamine, N-(3-chloro-4-fluorophenyl)-6-nitro-7-[[(3s)-tetrahydro-3-furanyl]oxy]-

4. N-(3-chloro-4-fluorophenyl)-6-nitro-7-[(3s)-oxolan-3-yl]oxyquinazolin-4-amine

5. N-(3-chloro-4-fluorophenyl)-6-nitro-7-(((3s)-tetrahydro-3-furanyl)oxy)-4-quinazolinamine

6. N-(3-chloro-4-fluorophenyl)-6-nitro-7-[[(3s)-tetrahydro-3-furanyl]oxy]-4-quinazolinamine

7. Schembl1192076

8. Amy6999

9. Dtxsid90710944

10. Cs-m0992

11. Mfcd18642924

12. Zinc95080024

13. Akos024464722

14. Ds-7814

15. 4-[(3-chloro-4-fluorophenyl)amino]-6-nitro-7-((5)-tetrahydrofuran-3-yloxy)-quinazoline

16. Ac-28916

17. A851932

18. 4-[(3-chloro-4-fluorophenyl)amino]-6-nitro-7-((s)-tetrahydrofuran-3-yloxy)-quinazoline

19. 4-[(3-chloro-4-fluorophenyl)amino]-6-nitro-7-[(s)-(tetrahydrofuran-3-yl)oxy]quinazoline

20. 4-[(3-chloro4-fluorophenyl)amino]-6-nitro-7-((s)-tetrahydrofuran-3-yloxy)-quinazoline

21. 4-quinazolinamine,n-(3-chloro-4-fluorophenyl)-6-nitro-7-[[(3s)-tetrahydro-3-furanyl]oxy]-

22. N-(3-chloro-4-fluorophenyl)-6-nitro-7-{[(3s)-oxolan-3-yl]oxy}quinazolin-4-amine

23. 7-((s)-tetrahydrofuran-3-yloxy)-n-(3-chloro-4-fluorophenyl)-6-nitroquinazolin-4-amine;(s)-n-(3-chloro-4-fluorophenyl)-6-nitro-7-((tetrahydrofuran-3-yl)oxy)quinazolin-4-amine

2.3 Create Date

2011-12-04

3 Chemical and Physical Properties

Molecular Formula	C₁₈H₁₄ClFN₄O₄
Molecular Weight	404.8 g/mol
XLogP3	4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	4
Exact Mass	404.0687608 g/mol
Monoisotopic Mass	404.0687608 g/mol
Topological Polar Surface Area	102 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	556
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1