1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxo-3,4-dihydroquinoline-7-carboxylic acid

C18H15ClFNO3 — CID 146525607

IUPAC1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxo-3,4-dihydroquinoline-7-carboxylic acid
SMILESCC1Cc2ccc(C(=O)O)cc2N(Cc2c(F)cccc2Cl)C1=O
InChIInChI=1S/C18H15ClFNO3/c1-10-7-11-5-6-12(18(23)24)8-16(11)21(17(10)22)9-13-14(19)3-2-4-15(13)20/h2-6,8,10H,7,9H2,1H3,(H,23,24)
InChIKeyRQMSMFWKUIOQSU-UHFFFAOYSA-N
MW347.77 g/mol
LogP3.90
Rot. Bonds3

About 1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxo-3,4-dihydroquinoline-7-carboxylic acid

1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxo-3,4-dihydroquinoline-7-carboxylic acid (PubChem CID 146525607) has the molecular formula C18H15ClFNO3 and a molecular weight of 347.77 g/mol. Its IUPAC name is 1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxo-3,4-dihydroquinoline-7-carboxylic acid.

Molecular Properties

Compound Name1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxo-3,4-dihydroquinoline-7-carboxylic acid
PubChem CID146525607
Molecular FormulaC18H15ClFNO3
Molecular Weight347.77 g/mol
Exact Mass347.07
IUPAC Name1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxo-3,4-dihydroquinoline-7-carboxylic acid
SMILESCC1Cc2ccc(C(=O)O)cc2N(Cc2c(F)cccc2Cl)C1=O
InChIInChI=1S/C18H15ClFNO3/c1-10-7-11-5-6-12(18(23)24)8-16(11)21(17(10)22)9-13-14(19)3-2-4-15(13)20/h2-6,8,10H,7,9H2,1H3,(H,23,24)
InChIKeyRQMSMFWKUIOQSU-UHFFFAOYSA-N
XLogP3.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.77
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxo-3,4-dihydroquinoline-7-carboxylic acid with MolForge

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Related Compounds

methyl 1-[(2-chloro-6-fluorophenyl)methyl]-2-oxo-3,4-dihydroquinoline-7-carboxylate
CID 142502304
1-[(2-fluoro-6-methylphenyl)methyl]-3,4-dimethyl-2-oxo-4H-quinazoline-7-carboxylic acid
CID 142502660
3-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxo-1-propyl-3,4-dihydroquinoline-7-carboxylic acid;hydrochloride
CID 25142637
methyl 4-[(2-chloro-6-fluorophenyl)methyl]-3-oxo-1,4-benzothiazine-6-carboxylate
CID 129138321
N-benzyl-1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxopyrido[2,3-b][1,4]thiazine-7-carboxamide
CID 146525568
methyl 2-(7-chloro-3-methyl-2-oxo-3,4-dihydroquinolin-1-yl)acetate
CID 143235824
4-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctyl-3-oxo-1,4-benzothiazine-6-carboxamide
CID 5077617
(2S)-5-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 26741923
5-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-2,3-dihydro-1H-1,5-benzodiazepin-4-one
CID 20896316
methyl 1-[(2-chloro-6-fluorophenyl)methyl]-2,2-dioxo-3H-2,1-benzothiazole-6-carboxylate
CID 142502435
(4S)-1-[(2-chloro-6-fluorophenyl)methyl]-N-[(2-fluoro-6-hydroxyphenyl)methyl]-3,4-dimethyl-2-oxo-4H-quinazoline-7-carboxamide
CID 146546906
1-benzyl-3-methyl-2-oxo-3H-indole-6-carboxylic acid
CID 151920961

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxo-3,4-dihydroquinoline-7-carboxylic acid?
The IUPAC name of 1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxo-3,4-dihydroquinoline-7-carboxylic acid (CID 146525607) is 1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxo-3,4-dihydroquinoline-7-carboxylic acid.
What is the SMILES notation for 1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxo-3,4-dihydroquinoline-7-carboxylic acid?
The canonical SMILES for 1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxo-3,4-dihydroquinoline-7-carboxylic acid is CC1Cc2ccc(C(=O)O)cc2N(Cc2c(F)cccc2Cl)C1=O.
What is the InChIKey of 1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxo-3,4-dihydroquinoline-7-carboxylic acid?
The InChIKey is RQMSMFWKUIOQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO3/c1-10-7-11-5-6-12(18(23)24)8-16(11)21(17(10)22)9-13-14(19)3-2-4-15(13)20/h2-6,8,10H,7,9H2,1H3,(H,23,24).
What are the key properties of 1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxo-3,4-dihydroquinoline-7-carboxylic acid?
1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxo-3,4-dihydroquinoline-7-carboxylic acid has a molecular weight of 347.77 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-fluorophenyl)methyl]-3-methyl-2-oxo-3,4-dihydroquinoline-7-carboxylic acid is sourced from PubChem (CID 146525607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).