N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide

C22H20ClN3O2 — CID 55805245

IUPACN-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)Nc3ccc(C(=O)NC4CC4)c(Cl)c3)cc2c1
InChIInChI=1S/C22H20ClN3O2/c1-12-3-8-20-14(9-12)10-18(13(2)24-20)22(28)26-16-6-7-17(19(23)11-16)21(27)25-15-4-5-15/h3,6-11,15H,4-5H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyWSQLCXWQMWQQJO-UHFFFAOYSA-N
MW393.87 g/mol
LogP4.65
Rot. Bonds4

About N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide

N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide (PubChem CID 55805245) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide
PubChem CID55805245
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC NameN-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)Nc3ccc(C(=O)NC4CC4)c(Cl)c3)cc2c1
InChIInChI=1S/C22H20ClN3O2/c1-12-3-8-20-14(9-12)10-18(13(2)24-20)22(28)26-16-6-7-17(19(23)11-16)21(27)25-15-4-5-15/h3,6-11,15H,4-5H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyWSQLCXWQMWQQJO-UHFFFAOYSA-N
XLogP4.65
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-2-methylquinoline-3-carboxamide
CID 87032124
N-(4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 34742642
N-(4-bromo-2-chlorophenyl)-2,6-dimethylquinoline-3-carboxamide
CID 24562991
N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-3-(4-methylphenyl)thiophene-2-carboxamide
CID 55805558
N-(3-chloro-4-methylphenyl)-2-methyl-1,6-naphthyridine-3-carboxamide
CID 110859285
N-(3,4-dichlorophenyl)-2-methyl-1,6-naphthyridine-3-carboxamide
CID 110863992
2,6-dimethyl-N-[(6R)-2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]quinoline-3-carboxamide
CID 95135738
N-(2-chloro-6-methylphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 96566964
N-[3-(1,3-dithiolan-2-yl)phenyl]-2,6-dimethylquinoline-3-carboxamide
CID 35852244
methyl 3-[(2,6-dimethylquinoline-3-carbonyl)amino]benzoate
CID 34059816
N-(3-acetamido-4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 33311358
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-2,6-dimethylquinoline-3-carboxamide
CID 39821091

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide?
The IUPAC name of N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide (CID 55805245) is N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide is Cc1ccc2nc(C)c(C(=O)Nc3ccc(C(=O)NC4CC4)c(Cl)c3)cc2c1.
What is the InChIKey of N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide?
The InChIKey is WSQLCXWQMWQQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-12-3-8-20-14(9-12)10-18(13(2)24-20)22(28)26-16-6-7-17(19(23)11-16)21(27)25-15-4-5-15/h3,6-11,15H,4-5H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide?
N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide has a molecular weight of 393.87 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(cyclopropylcarbamoyl)phenyl]-2,6-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 55805245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).