8-chloro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide

C17H12ClFN2O2 — CID 43831923

IUPAC8-chloro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(F)cc2)c(=O)c2cccc(Cl)c21
InChIInChI=1S/C17H12ClFN2O2/c1-21-9-13(16(22)12-3-2-4-14(18)15(12)21)17(23)20-11-7-5-10(19)6-8-11/h2-9H,1H3,(H,20,23)
InChIKeyVPMKZRGLGATXOK-UHFFFAOYSA-N
MW330.75 g/mol
LogP3.58
Rot. Bonds2

About 8-chloro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide

8-chloro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 43831923) has the molecular formula C17H12ClFN2O2 and a molecular weight of 330.75 g/mol. Its IUPAC name is 8-chloro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name8-chloro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide
PubChem CID43831923
Molecular FormulaC17H12ClFN2O2
Molecular Weight330.75 g/mol
Exact Mass330.06
IUPAC Name8-chloro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(F)cc2)c(=O)c2cccc(Cl)c21
InChIInChI=1S/C17H12ClFN2O2/c1-21-9-13(16(22)12-3-2-4-14(18)15(12)21)17(23)20-11-7-5-10(19)6-8-11/h2-9H,1H3,(H,20,23)
InChIKeyVPMKZRGLGATXOK-UHFFFAOYSA-N
XLogP3.58
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetylphenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide
CID 43831914
8-chloro-N-(3-methoxyphenyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 43831924
N-(3-bromophenyl)-8-chloro-1-methyl-4-oxoquinoline-3-carboxamide
CID 43831943
6-fluoro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133220
N-(3-chloro-2-methylphenyl)-8-fluoro-1-methyl-4-oxoquinoline-3-carboxamide
CID 43832131
N-(3-chloro-2-methylphenyl)-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133240
4-oxo-N-[4-(trifluoromethyl)phenyl]-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide
CID 30132534
N-(4-fluorophenyl)-5-methyl-2,4-dioxo-3-phenyl-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 18568307
8-chloro-3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylquinolin-4-one
CID 43831927
3-acetyl-8-bromo-1-methylquinolin-4-one
CID 86732744
3-(4-fluorophenyl)-5-methyl-N-(4-methylphenyl)-2,4-dioxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 18568363
1-methyl-N-(3-methylsulfanylphenyl)-4-oxoquinoline-3-carboxamide
CID 30131737

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of 8-chloro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide (CID 43831923) is 8-chloro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 8-chloro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 8-chloro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide is Cn1cc(C(=O)Nc2ccc(F)cc2)c(=O)c2cccc(Cl)c21.
What is the InChIKey of 8-chloro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is VPMKZRGLGATXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O2/c1-21-9-13(16(22)12-3-2-4-14(18)15(12)21)17(23)20-11-7-5-10(19)6-8-11/h2-9H,1H3,(H,20,23).
What are the key properties of 8-chloro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide?
8-chloro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 330.75 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 43831923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).