N-(3-chloro-2-methylphenyl)-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide

C18H14ClFN2O2 — CID 30133240

IUPACN-(3-chloro-2-methylphenyl)-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cn(C)c2ccc(F)cc2c1=O
InChIInChI=1S/C18H14ClFN2O2/c1-10-14(19)4-3-5-15(10)21-18(24)13-9-22(2)16-7-6-11(20)8-12(16)17(13)23/h3-9H,1-2H3,(H,21,24)
InChIKeyKFQARHKYDVPCTK-UHFFFAOYSA-N
MW344.77 g/mol
LogP3.89
Rot. Bonds2

About N-(3-chloro-2-methylphenyl)-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide

N-(3-chloro-2-methylphenyl)-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 30133240) has the molecular formula C18H14ClFN2O2 and a molecular weight of 344.77 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide
PubChem CID30133240
Molecular FormulaC18H14ClFN2O2
Molecular Weight344.77 g/mol
Exact Mass344.07
IUPAC NameN-(3-chloro-2-methylphenyl)-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cn(C)c2ccc(F)cc2c1=O
InChIInChI=1S/C18H14ClFN2O2/c1-10-14(19)4-3-5-15(10)21-18(24)13-9-22(2)16-7-6-11(20)8-12(16)17(13)23/h3-9H,1-2H3,(H,21,24)
InChIKeyKFQARHKYDVPCTK-UHFFFAOYSA-N
XLogP3.89
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.77
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-8-fluoro-1-methyl-4-oxoquinoline-3-carboxamide
CID 43832131
6-fluoro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133220
N-(2,3-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850888
2-bromo-N-(3-chloro-2-methylphenyl)-4-fluorobenzamide
CID 24699585
8-chloro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 43831923
6-fluoro-N-(2-methoxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133154
N-(3-chloro-2-methylphenyl)-7-methyl-4-oxo-1-propyl-1,8-naphthyridine-3-carboxamide
CID 53087125
N-(2,4-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850917
1-ethyl-6-fluoro-N-(2-methoxyphenyl)-4-oxoquinoline-3-carboxamide
CID 39850828
6-fluoro-1-methyl-4-oxo-N-[(2R)-4-phenylbutan-2-yl]quinoline-3-carboxamide
CID 30133417
N-[2,5-bis(iodomethyl)-4-methylphenyl]-5-fluoro-1-methylindole-3-carboxamide
CID 89434873
N-(3-chloro-2-methylphenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137439

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide (CID 30133240) is N-(3-chloro-2-methylphenyl)-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cn(C)c2ccc(F)cc2c1=O.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is KFQARHKYDVPCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O2/c1-10-14(19)4-3-5-15(10)21-18(24)13-9-22(2)16-7-6-11(20)8-12(16)17(13)23/h3-9H,1-2H3,(H,21,24).
What are the key properties of N-(3-chloro-2-methylphenyl)-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide?
N-(3-chloro-2-methylphenyl)-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 344.77 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 30133240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).