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149602-60-8 | 3-Quinolinecarboxylic acid, 7-amino-1-cyclopropyl-6-fluoro-1,4-dihydro-5-(hydroxymethyl)-4-oxo-
CAS No: 149602-60-8 Catalog No: AG001LVM MDL No:
Product Description
Catalog Number:
AG001LVM
Chemical Name:
3-Quinolinecarboxylic acid, 7-amino-1-cyclopropyl-6-fluoro-1,4-dihydro-5-(hydroxymethyl)-4-oxo-
CAS Number:
149602-60-8
Molecular Formula:
C14H13FN2O4
Molecular Weight:
292.2624
IUPAC Name:
7-amino-1-cyclopropyl-6-fluoro-5-(hydroxymethyl)-4-oxoquinoline-3-carboxylic acid
InChI:
InChI=1S/C14H13FN2O4/c15-12-8(5-18)11-10(3-9(12)16)17(6-1-2-6)4-7(13(11)19)14(20)21/h3-4,6,18H,1-2,5,16H2,(H,20,21)
InChI Key:
SOWMSUORQIRLML-UHFFFAOYSA-N
SMILES:
OCc1c(F)c(N)cc2c1c(=O)c(cn2C1CC1)C(=O)O
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.086g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
292.266g/mol
Monoisotopic Mass:
292.086g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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