N-(4-chlorophenyl)-1-ethyl-2-oxoquinoline-3-carboxamide

C18H15ClN2O2 — CID 142731575

IUPACN-(4-chlorophenyl)-1-ethyl-2-oxoquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ccc(Cl)cc2)cc2ccccc21
InChIInChI=1S/C18H15ClN2O2/c1-2-21-16-6-4-3-5-12(16)11-15(18(21)23)17(22)20-14-9-7-13(19)8-10-14/h3-11H,2H2,1H3,(H,20,22)
InChIKeyXBFYFHMSJALHCV-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.93
Rot. Bonds3

About N-(4-chlorophenyl)-1-ethyl-2-oxoquinoline-3-carboxamide

N-(4-chlorophenyl)-1-ethyl-2-oxoquinoline-3-carboxamide (PubChem CID 142731575) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-ethyl-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-ethyl-2-oxoquinoline-3-carboxamide
PubChem CID142731575
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC NameN-(4-chlorophenyl)-1-ethyl-2-oxoquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2ccc(Cl)cc2)cc2ccccc21
InChIInChI=1S/C18H15ClN2O2/c1-2-21-16-6-4-3-5-12(16)11-15(18(21)23)17(22)20-14-9-7-13(19)8-10-14/h3-11H,2H2,1H3,(H,20,22)
InChIKeyXBFYFHMSJALHCV-UHFFFAOYSA-N
XLogP3.93
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-ethenylphenyl)-1-methyl-2-oxoquinoline-3-carboxamide
CID 123866376
N-(4-bromophenyl)-1-[(4-chlorophenyl)methyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 43996288
1-benzyl-N-(4-ethoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7620250
1-benzyl-2-oxoquinoline-3-carboxylic acid
CID 22754333
ethane;1-ethyl-3-methylquinolin-2-one
CID 142177817
N-(4-chlorophenyl)-2-hydroxy-11-methylbenzo[a]carbazole-3-carboxamide
CID 14596879
N-ethyl-1-[(4-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 123844752
N-(3,5-dimethylphenyl)-1-ethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 7619925
5-[(2-chlorobenzoyl)amino]-1-ethylindole-2-carboxamide
CID 83282724
N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 936828
4-ethyl-N-(4-methylphenyl)-3-oxoquinoxaline-2-carboxamide
CID 46249419
3-(chloromethyl)-1-ethylquinolin-2-one
CID 18801760

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-ethyl-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-ethyl-2-oxoquinoline-3-carboxamide (CID 142731575) is N-(4-chlorophenyl)-1-ethyl-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-ethyl-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-ethyl-2-oxoquinoline-3-carboxamide is CCn1c(=O)c(C(=O)Nc2ccc(Cl)cc2)cc2ccccc21.
What is the InChIKey of N-(4-chlorophenyl)-1-ethyl-2-oxoquinoline-3-carboxamide?
The InChIKey is XBFYFHMSJALHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-2-21-16-6-4-3-5-12(16)11-15(18(21)23)17(22)20-14-9-7-13(19)8-10-14/h3-11H,2H2,1H3,(H,20,22).
What are the key properties of N-(4-chlorophenyl)-1-ethyl-2-oxoquinoline-3-carboxamide?
N-(4-chlorophenyl)-1-ethyl-2-oxoquinoline-3-carboxamide has a molecular weight of 326.78 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-ethyl-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 142731575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).