Name: Name:3-Quinolinecarboxylic acid, 1-cyclopropyl-6,8-difluoro-1,4-dihydro-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-
Brand: Angene
SKU: AG001N5P
Rating: 90 (10 reviews)

3-Quinolinecarboxylic acid, 1-cyclopropyl-6,8-difluoro-1,4-dihydro-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-

CAS No.:

151213-15-9

Catalog Number:

AG001N5P

Molecular Formula:

C20H21F2N3O3

Molecular Weight:

389.3958

Catalog Number:

AG001N5P

Chemical Name:

3-Quinolinecarboxylic acid, 1-cyclopropyl-6,8-difluoro-1,4-dihydro-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-

CAS Number:

151213-15-9

Molecular Formula:

C20H21F2N3O3

Molecular Weight:

389.3958

MDL Number:

MFCD21364378

IUPAC Name:

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

InChI:

InChI=1S/C20H21F2N3O3/c21-14-6-12-17(25(11-3-4-11)8-13(19(12)26)20(27)28)16(22)18(14)24-7-10-2-1-5-23-15(10)9-24/h6,8,10-11,15,23H,1-5,7,9H2,(H,27,28)/t10-,15+/m0/s1

InChI Key:

WEXQOLCYKFJAJZ-ZUZCIYMTSA-N

SMILES:

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

EC Number:

604-776-7

UNII:

3QPU25JTSN

Complexity:

713

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

389.155g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

389.403g/mol

Monoisotopic Mass:

389.155g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

72.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-0.1