Name: Name:3-Quinolinecarboxylic acid, 5-amino-1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methyl-4-oxo-
Brand: Angene
SKU: AG001XO0
Rating: 90 (10 reviews)

3-Quinolinecarboxylic acid, 5-amino-1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methyl-4-oxo-

CAS No.:

167888-38-2

Catalog Number:

AG001XO0

Molecular Formula:

C14H12F2N2O3

Molecular Weight:

294.2535

Catalog Number:

AG001XO0

Chemical Name:

3-Quinolinecarboxylic acid, 5-amino-1-cyclopropyl-6,7-difluoro-1,4-dihydro-8-methyl-4-oxo-

CAS Number:

167888-38-2

Molecular Formula:

C14H12F2N2O3

Molecular Weight:

294.2535

IUPAC Name:

5-amino-1-cyclopropyl-6,7-difluoro-8-methyl-4-oxoquinoline-3-carboxylic acid

InChI:

InChI=1S/C14H12F2N2O3/c1-5-9(15)10(16)11(17)8-12(5)18(6-2-3-6)4-7(13(8)19)14(20)21/h4,6H,2-3,17H2,1H3,(H,20,21)

InChI Key:

XSWMPEWAGPDFHT-UHFFFAOYSA-N

SMILES:

OC(=O)c1cn(C2CC2)c2c(c1=O)c(N)c(c(c2C)F)F

Complexity:

520

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

294.082g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

294.258g/mol

Monoisotopic Mass:

294.082g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4