1-Cyclopropyl-7-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid - CAS 157372-99-1

Catalog:	BB068962
Product Name:	1-Cyclopropyl-7-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid
CAS:	157372-99-1
Synonyms:	1-Cyclopropyl-7-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; 1-Cyclopropyl-7-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid; 1-CYCLOPROPYL-7-FLUORO-4-OXOQUINOLINE-3-CARBOXYLIC ACID

Technical Data

IUPAC Name:	1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid
Description:	1-Cyclopropyl-7-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid can be used to prepare iminoquinolinecarboxamides. It can also be used as a reagent to prepare 1-alkyl-1,4-dihydro-4-imino-3-quinolinecarboxylic acid derivatives.
Molecular Weight:	247.22
Molecular Formula:	C13H10FNO3
Canonical SMILES:	C1CC1N2C=C(C(=O)C3=C2C=C(C=C3)F)C(=O)O
InChI:	InChI=1S/C13H10FNO3/c14-7-1-4-9-11(5-7)15(8-2-3-8)6-10(12(9)16)13(17)18/h1,4-6,8H,2-3H2,(H,17,18)
InChI Key:	SZESLTPCOVTJOL-UHFFFAOYSA-N
References:	Van Es, T., et al. J. Chem. Soc. Perkin Trans. 1, 19, 3137 (1998); Van Es, T., et al. S. Afr. J. Chem., 55, 13 (2002).

Complexity:	430
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	247.06447134
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	247.06447134
Rotatable Bond Count:	2
Topological Polar Surface Area:	57.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7