N-(2-chloro-6-methylphenyl)-2,6-dimethylquinoline-3-carboxamide

C19H17ClN2O — CID 96566964

IUPACN-(2-chloro-6-methylphenyl)-2,6-dimethylquinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)Nc3c(C)cccc3Cl)cc2c1
InChIInChI=1S/C19H17ClN2O/c1-11-7-8-17-14(9-11)10-15(13(3)21-17)19(23)22-18-12(2)5-4-6-16(18)20/h4-10H,1-3H3,(H,22,23)
InChIKeyXFTRSVOFTMZYLV-UHFFFAOYSA-N
MW324.81 g/mol
LogP5.07
Rot. Bonds2

About N-(2-chloro-6-methylphenyl)-2,6-dimethylquinoline-3-carboxamide

N-(2-chloro-6-methylphenyl)-2,6-dimethylquinoline-3-carboxamide (PubChem CID 96566964) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2,6-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2,6-dimethylquinoline-3-carboxamide
PubChem CID96566964
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC NameN-(2-chloro-6-methylphenyl)-2,6-dimethylquinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)Nc3c(C)cccc3Cl)cc2c1
InChIInChI=1S/C19H17ClN2O/c1-11-7-8-17-14(9-11)10-15(13(3)21-17)19(23)22-18-12(2)5-4-6-16(18)20/h4-10H,1-3H3,(H,22,23)
InChIKeyXFTRSVOFTMZYLV-UHFFFAOYSA-N
XLogP5.07
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.81
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-chloro-6-methylphenyl)-2,6-dimethylquinoline-3-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

2,6-dimethyl-N-(2-methylphenyl)quinoline-3-carboxamide
CID 51283578
N-(2-chloro-6-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 66255531
N-(2-bromo-6-fluorophenyl)-2,6-dimethylquinoline-3-carboxamide
CID 100642237
N-(4-bromo-2-chlorophenyl)-2,6-dimethylquinoline-3-carboxamide
CID 24562991
methyl 3-[(2,6-dimethylquinoline-3-carbonyl)amino]benzoate
CID 34059816
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2,6-dimethylquinoline-3-carboxamide
CID 39821091
N-[3-(dimethylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 32851617
N-(4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 34742642
N-(2-chloro-6-methylphenyl)-4-hydroxy-2-methylbenzamide
CID 103865613
N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 55805245
N-(1H-indol-4-yl)-2,6-dimethylquinoline-3-carboxamide
CID 47093054
5-chloro-N-(2-chloro-6-methylphenyl)-2-fluorobenzamide
CID 66254946

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2,6-dimethylquinoline-3-carboxamide?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2,6-dimethylquinoline-3-carboxamide (CID 96566964) is N-(2-chloro-6-methylphenyl)-2,6-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2,6-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2,6-dimethylquinoline-3-carboxamide is Cc1ccc2nc(C)c(C(=O)Nc3c(C)cccc3Cl)cc2c1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2,6-dimethylquinoline-3-carboxamide?
The InChIKey is XFTRSVOFTMZYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O/c1-11-7-8-17-14(9-11)10-15(13(3)21-17)19(23)22-18-12(2)5-4-6-16(18)20/h4-10H,1-3H3,(H,22,23).
What are the key properties of N-(2-chloro-6-methylphenyl)-2,6-dimethylquinoline-3-carboxamide?
N-(2-chloro-6-methylphenyl)-2,6-dimethylquinoline-3-carboxamide has a molecular weight of 324.81 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2,6-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 96566964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).