N-(4-carbamoylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide

C18H15N3O3 — CID 91822577

IUPACN-(4-carbamoylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)Nc2ccc(C(N)=O)cc2)c2ccccc21
InChIInChI=1S/C18H15N3O3/c1-21-15-5-3-2-4-13(15)14(10-16(21)22)18(24)20-12-8-6-11(7-9-12)17(19)23/h2-10H,1H3,(H2,19,23)(H,20,24)
InChIKeyQQCNWBQSYMCJLE-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.89
Rot. Bonds3

About N-(4-carbamoylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide

N-(4-carbamoylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide (PubChem CID 91822577) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-(4-carbamoylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
PubChem CID91822577
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC NameN-(4-carbamoylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
SMILESCn1c(=O)cc(C(=O)Nc2ccc(C(N)=O)cc2)c2ccccc21
InChIInChI=1S/C18H15N3O3/c1-21-15-5-3-2-4-13(15)14(10-16(21)22)18(24)20-12-8-6-11(7-9-12)17(19)23/h2-10H,1H3,(H2,19,23)(H,20,24)
InChIKeyQQCNWBQSYMCJLE-UHFFFAOYSA-N
XLogP1.89
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-carbamoylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-2-oxo-N-[4-(phenylcarbamoylamino)phenyl]quinoline-4-carboxamide
CID 55909182
N-[4-(dimethylamino)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694551
N-(3-chlorophenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694528
1-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]quinoline-4-carboxamide
CID 138583118
1-methyl-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-oxoquinoline-4-carboxamide
CID 55787470
N-[4-(2-chlorophenoxy)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55759235
N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 55880912
1-methyl-2-oxo-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 55791000
1-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-oxoquinoline-4-carboxamide
CID 55920183
1-methyl-2-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoline-4-carboxamide
CID 131902181
N-(2,4-dimethylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694516
N-(2,3-dimethylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide
CID 110694521

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide?
The IUPAC name of N-(4-carbamoylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide (CID 91822577) is N-(4-carbamoylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide.
What is the SMILES notation for N-(4-carbamoylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide?
The canonical SMILES for N-(4-carbamoylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide is Cn1c(=O)cc(C(=O)Nc2ccc(C(N)=O)cc2)c2ccccc21.
What is the InChIKey of N-(4-carbamoylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide?
The InChIKey is QQCNWBQSYMCJLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-21-15-5-3-2-4-13(15)14(10-16(21)22)18(24)20-12-8-6-11(7-9-12)17(19)23/h2-10H,1H3,(H2,19,23)(H,20,24).
What are the key properties of N-(4-carbamoylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide?
N-(4-carbamoylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoylphenyl)-1-methyl-2-oxoquinoline-4-carboxamide is sourced from PubChem (CID 91822577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).