N-[4-chloro-3-(methylcarbamoyl)phenyl]-2-ethyl-3-methylquinoline-4-carboxamide

C21H20ClN3O2 — CID 55990925

IUPACN-[4-chloro-3-(methylcarbamoyl)phenyl]-2-ethyl-3-methylquinoline-4-carboxamide
SMILESCCc1nc2ccccc2c(C(=O)Nc2ccc(Cl)c(C(=O)NC)c2)c1C
InChIInChI=1S/C21H20ClN3O2/c1-4-17-12(2)19(14-7-5-6-8-18(14)25-17)21(27)24-13-9-10-16(22)15(11-13)20(26)23-3/h5-11H,4H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyVSKQDYBYBQIILN-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.37
Rot. Bonds4

About N-[4-chloro-3-(methylcarbamoyl)phenyl]-2-ethyl-3-methylquinoline-4-carboxamide

N-[4-chloro-3-(methylcarbamoyl)phenyl]-2-ethyl-3-methylquinoline-4-carboxamide (PubChem CID 55990925) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is N-[4-chloro-3-(methylcarbamoyl)phenyl]-2-ethyl-3-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(methylcarbamoyl)phenyl]-2-ethyl-3-methylquinoline-4-carboxamide
PubChem CID55990925
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC NameN-[4-chloro-3-(methylcarbamoyl)phenyl]-2-ethyl-3-methylquinoline-4-carboxamide
SMILESCCc1nc2ccccc2c(C(=O)Nc2ccc(Cl)c(C(=O)NC)c2)c1C
InChIInChI=1S/C21H20ClN3O2/c1-4-17-12(2)19(14-7-5-6-8-18(14)25-17)21(27)24-13-9-10-16(22)15(11-13)20(26)23-3/h5-11H,4H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyVSKQDYBYBQIILN-UHFFFAOYSA-N
XLogP4.37
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-chloro-3-(methylcarbamoyl)phenyl]-2-ethyl-3-methylquinoline-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-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide
CID 1345
SB 222200
CID 6604009
N-[(2r)-Butan-2-Yl]-1-(2-Chlorophenyl)-N-Methylisoquinoline-3-Carboxamide
CID 24839733
4-Chloro-N-((R)-1-(cis-4-(6-fluoroquinolin-4-yl)cyclohexyl)ethyl)benzamide
CID 121318866
N-(3-(benzyl(methyl)amino)propyl)-9-chloro-5,6,7,8-tetrahydroacridine-2-carboxamide
CID 73349008
2-phenyl-N-(1-phenylethyl)quinoline-4-carboxamide
CID 2849628
N-Phenyl-1,2,3,4-tetrahydro-9-acridinecarboxamide
CID 775717
2-Chloro-N-cyclopropyl-4-quinolinecarboxamide
CID 7131550
1-(2-Chlorophenyl)-N-methyl-N-(1-methylpropyl)-3-isoquinolinecarboxamide C-11
CID 450825
N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-N-methylisoquinoline-3-carboxamide
CID 6603767
(E)-N-(4-amino-2-methylquinolin-6-yl)-3-(2-chlorophenyl)prop-2-enamide
CID 5773323
Propyl 4-(4-chloro-2-phenylquinoline-7-carbonyl)piperazine-1-carboxylate
CID 126753798

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(methylcarbamoyl)phenyl]-2-ethyl-3-methylquinoline-4-carboxamide?
The IUPAC name of N-[4-chloro-3-(methylcarbamoyl)phenyl]-2-ethyl-3-methylquinoline-4-carboxamide (CID 55990925) is N-[4-chloro-3-(methylcarbamoyl)phenyl]-2-ethyl-3-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(methylcarbamoyl)phenyl]-2-ethyl-3-methylquinoline-4-carboxamide?
The canonical SMILES for N-[4-chloro-3-(methylcarbamoyl)phenyl]-2-ethyl-3-methylquinoline-4-carboxamide is CCc1nc2ccccc2c(C(=O)Nc2ccc(Cl)c(C(=O)NC)c2)c1C.
What is the InChIKey of N-[4-chloro-3-(methylcarbamoyl)phenyl]-2-ethyl-3-methylquinoline-4-carboxamide?
The InChIKey is VSKQDYBYBQIILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-4-17-12(2)19(14-7-5-6-8-18(14)25-17)21(27)24-13-9-10-16(22)15(11-13)20(26)23-3/h5-11H,4H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N-[4-chloro-3-(methylcarbamoyl)phenyl]-2-ethyl-3-methylquinoline-4-carboxamide?
N-[4-chloro-3-(methylcarbamoyl)phenyl]-2-ethyl-3-methylquinoline-4-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 4.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(methylcarbamoyl)phenyl]-2-ethyl-3-methylquinoline-4-carboxamide is sourced from PubChem (CID 55990925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).