CAS 221221-16-5

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221221-16-5

Chemistry

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Also known as: 221221-16-5, 1-cyclopropyl-7-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid, Mfcd15528825, 1-cyclopropyl-7-fluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic acid, Bzhfsdykflnpst-uhfffaoysa-n, Schembl116421

Molecular Formula

C₁₄H₁₂FNO₄

Molecular Weight

277.25 g/mol

InChI Key

BZHFSDYKFLNPST-UHFFFAOYSA-N

1 2D Structure

CAS 221221-16-5

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-cyclopropyl-7-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid

2.1.2 InChI

InChI=1S/C14H12FNO4/c1-20-13-10(15)5-4-8-11(13)16(7-2-3-7)6-9(12(8)17)14(18)19/h4-7H,2-3H2,1H3,(H,18,19)

2.1.3 InChI Key

BZHFSDYKFLNPST-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 221221-16-5

2. 1-cyclopropyl-7-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic Acid

3. Mfcd15528825

4. 1-cyclopropyl-7-fluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic Acid

5. Bzhfsdykflnpst-uhfffaoysa-n

6. Schembl116421

7. Dtxsid60627378

8. 1-cyclopropyl-7-fluoro-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylicacid

9. Akos015897224

10. Ac-24398

11. Sy060893

12. Db-363546

13. Cs-0069733

14. F809812

15. 1-cyclopropyl-1,4-dihydro-7-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic Acid

16. 1-cyclopropyl-7-fluoro-8-methoxy-4-oxo-1,4-dihydro-quinoline-3-carboxylic Acid

17. 3-quinolinecarboxylic Acid, 1-cyclopropyl-7-fluoro-1,4-dihydro-8-methoxy-4-oxo-; 1-cyclopropyl-7-fluoro-1,4-dihydro-8-methoxy-4-oxo-3-quinolinecarboxylic Acid; 1-cyclopropyl-1,4-dihydro-7-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic Acid; 1-cyclopropyl-7-

2.3 Create Date

2007-12-05

3 Chemical and Physical Properties

Molecular Formula	C₁₄H₁₂FNO₄
Molecular Weight	277.25 g/mol
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	66.8
Heavy Atom Count	20
Formal Charge	0
Complexity	474
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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