AG00247I

182868-72-0 | 1-Cyclopropyl-8-ethoxy-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

AG00247I

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CAS Number	182868-72-0
Catalog Number	AG00247I(AGN-PC-0QCC35)
Chemical Name	1-Cyclopropyl-8-ethoxy-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
IUPAC Name	1-cyclopropyl-8-ethoxy-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
InChI	InChI=1S/C20H24FN3O4/c1-3-28-19-16-13(8-15(21)17(19)23-7-6-22-11(2)9-23)18(25)14(20(26)27)10-24(16)12-4-5-12/h8,10-12,22H,3-7,9H2,1-2H3,(H,26,27)
InChI Key	OWEQWFYVHJAGCR-UHFFFAOYSA-N
MDL Number	MFCD26743466
Molecular Formula	C20H24FN3O4
Molecular Weight	389.4207
SMILES	FC1=CC2C(C(C(O)=O)=CN(C3CC3)C=2C(=C1N1CCNC(C)C1)OCC)=O
Synonyms	182868-72-0, 1-cyclopropyl-8-ethoxy-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, 3-Quinolinecarboxylic acid, 1-cyclopropyl-8-ethoxy-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-, AK127262, 1-cyclopropyl-8-ethoxy-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid, AC1LA8P1, AC1Q4N6D, CHEMBL15372, CTK4D8332, KS-00000RB0, MFCD26743466, AKOS016012745, DS-5500, AX8249053, FT-0688568, ST24037976, 1,4-Dihydro-1-cyclopropyl-4-oxo-6-fluoro-7-(3-methylpiperazino)-8-ethoxyquinoline-3-carboxylic acid, 1-Cyclopropyl-6-fluoro-1,4-dihydro-8-ethoxy-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid, 1-Cyclopropyl-8-ethoxy-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic a, 1-cyclopropyl-8-ethoxy-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid, 3-Quinolinecarboxylicacid,1-cyclopropyl-8-ethoxy-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-, Quinolone der., OWEQWFYVHJAGCR-UHFFFAOYSA-N, AIDS105041, AR-1C2686, CID483592, 18371-82-9, 3-Quinolinecarboxylic acid, 1-cyclopropyl-6-fluoro-1,4-dihydro-8-ethoxy-7-(3-methyl-1-piperazinyl)-4-oxo-,

Complexity	668
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	389.175g/mol
Formal Charge	0
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	389.427g/mol
Monoisotopic Mass	389.175g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	82.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	-0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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