1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxoquinoline-4-carboxamide

C24H18ClFN2O2 — CID 3642555

IUPAC1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxoquinoline-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(=O)n(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C24H18ClFN2O2/c25-18-9-5-17(6-10-18)15-28-22-4-2-1-3-20(22)21(13-23(28)29)24(30)27-14-16-7-11-19(26)12-8-16/h1-13H,14-15H2,(H,27,30)
InChIKeyUUELLGXFWFSGDU-UHFFFAOYSA-N
MW420.87 g/mol
LogP4.77
Rot. Bonds5

About 1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxoquinoline-4-carboxamide

1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxoquinoline-4-carboxamide (PubChem CID 3642555) has the molecular formula C24H18ClFN2O2 and a molecular weight of 420.87 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxoquinoline-4-carboxamide
PubChem CID3642555
Molecular FormulaC24H18ClFN2O2
Molecular Weight420.87 g/mol
Exact Mass420.10
IUPAC Name1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxoquinoline-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(=O)n(Cc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C24H18ClFN2O2/c25-18-9-5-17(6-10-18)15-28-22-4-2-1-3-20(22)21(13-23(28)29)24(30)27-14-16-7-11-19(26)12-8-16/h1-13H,14-15H2,(H,27,30)
InChIKeyUUELLGXFWFSGDU-UHFFFAOYSA-N
XLogP4.77
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.87
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[4-(benzylcarbamoyl)-2-oxoquinolin-1-yl]methyl]benzoate
CID 139956924
N-benzyl-5-[(2,4-dioxoquinazolin-1-yl)methyl]-2-fluorobenzamide
CID 169027603
N-benzyl-1-[2-(2-fluoroanilino)-2-oxoethyl]-2-oxoquinoline-4-carboxamide
CID 25238701
1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 18582962
2-[5-[(4-chlorophenyl)methyl]-4-oxopyridazino[4,5-b]indol-3-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 20892238
N-benzyl-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694467
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229
1-acetyl-N-[(4-chlorophenyl)methyl]indole-3-carboxamide
CID 113207852
1-methyl-N-[(4-methylphenyl)methyl]-2-oxoquinoline-4-carboxamide
CID 110694470
N-[(4-fluorophenyl)methyl]-2-oxo-1H-quinoline-4-carboxamide
CID 3617215
1-[(3-methylphenyl)methyl]-2-oxo-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 5051672

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxoquinoline-4-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxoquinoline-4-carboxamide (CID 3642555) is 1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxoquinoline-4-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxoquinoline-4-carboxamide is O=C(NCc1ccc(F)cc1)c1cc(=O)n(Cc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxoquinoline-4-carboxamide?
The InChIKey is UUELLGXFWFSGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN2O2/c25-18-9-5-17(6-10-18)15-28-22-4-2-1-3-20(22)21(13-23(28)29)24(30)27-14-16-7-11-19(26)12-8-16/h1-13H,14-15H2,(H,27,30).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxoquinoline-4-carboxamide?
1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxoquinoline-4-carboxamide has a molecular weight of 420.87 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 3642555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).