Name: Name:1-Cyclopropyl-6-fluoro-1,4-dihydro-8-hydroxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid
Brand: Angene
SKU: AG0039WF
Rating: 90 (10 reviews)

1-Cyclopropyl-6-fluoro-1,4-dihydro-8-hydroxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid

CAS No.:

721970-36-1

Catalog Number:

AG0039WF

Molecular Formula:

C20H22FN3O4

Molecular Weight:

387.4048

Catalog Number:

AG0039WF

Chemical Name:

1-Cyclopropyl-6-fluoro-1,4-dihydro-8-hydroxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid

CAS Number:

721970-36-1

Molecular Formula:

C20H22FN3O4

Molecular Weight:

387.4048

MDL Number:

MFCD20921978

IUPAC Name:

7-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-1-cyclopropyl-6-fluoro-8-hydroxy-4-oxoquinoline-3-carboxylic acid

InChI:

InChI=1S/C20H22FN3O4/c21-14-6-12-16(24(11-3-4-11)8-13(18(12)25)20(27)28)19(26)17(14)23-7-10-2-1-5-22-15(10)9-23/h6,8,10-11,15,22,26H,1-5,7,9H2,(H,27,28)/t10-,15+/m0/s1

InChI Key:

IRASTQSQRDRSEH-ZUZCIYMTSA-N

SMILES:

Fc1cc2c(=O)c(cn(c2c(c1N1C[C@@H]2[C@H](C1)CCCN2)O)C1CC1)C(=O)O

UNII:

N9S4OJ0188

Complexity:

712

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

387.159g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

387.411g/mol

Monoisotopic Mass:

387.159g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.3