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

C17H13ClN2O2 — CID 110694528

IUPACN-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)Nc2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C17H13ClN2O2/c1-20-15-8-3-2-7-13(15)14(10-16(20)21)17(22)19-12-6-4-5-11(18)9-12/h2-10H,1H3,(H,19,22)
InChIKeyWKBIXRNYJNTMFC-UHFFFAOYSA-N
MW312.76 g/mol
LogP3.44
Rot. Bonds2

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

N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide (PubChem CID 110694528) has the molecular formula C17H13ClN2O2 and a molecular weight of 312.76 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide
PubChem CID110694528
Molecular FormulaC17H13ClN2O2
Molecular Weight312.76 g/mol
Exact Mass312.07
IUPAC NameN-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)Nc2cccc(Cl)c2)c2ccccc21
InChIInChI=1S/C17H13ClN2O2/c1-20-15-8-3-2-7-13(15)14(10-16(20)21)17(22)19-12-6-4-5-11(18)9-12/h2-10H,1H3,(H,19,22)
InChIKeyWKBIXRNYJNTMFC-UHFFFAOYSA-N
XLogP3.44
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide
CID 55909182
N-(4-carbamoylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 91822577
N-[3-[(2-chlorophenyl)sulfamoyl]phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55786997
1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-4-carboxamide
CID 131902181
1-acetyl-N-(3-chlorophenyl)indole-3-carboxamide
CID 113207934
N-[4-(dimethylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694551
N-[4-(2-chlorophenoxy)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55759235
N-(2,3-dimethylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694521
N-(3-chlorophenyl)-4-methylthieno[2,3-b]indole-2-carboxamide
CID 1487627
1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 138583118
N-[1-(2,4-dichlorophenyl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55758083
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55804308

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide (CID 110694528) is N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide is Cn1c(=O)cc(C(=O)Nc2cccc(Cl)c2)c2ccccc21.
What is the InChIKey of N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide?
The InChIKey is WKBIXRNYJNTMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O2/c1-20-15-8-3-2-7-13(15)14(10-16(20)21)17(22)19-12-6-4-5-11(18)9-12/h2-10H,1H3,(H,19,22).
What are the key properties of N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide?
N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide has a molecular weight of 312.76 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 110694528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).