6-chloro-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethylquinoline-3-carboxamide

C21H19Cl2N3O3 — CID 55474720

IUPAC6-chloro-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethylquinoline-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cc2cc(Cl)ccc2nc1C
InChIInChI=1S/C21H19Cl2N3O3/c1-12-16(9-13-8-14(22)4-6-17(13)24-12)21(28)26(2)11-20(27)25-18-10-15(23)5-7-19(18)29-3/h4-10H,11H2,1-3H3,(H,25,27)
InChIKeyKPHVOGMJIXEEBH-UHFFFAOYSA-N
MW432.31 g/mol
LogP4.57
Rot. Bonds5

About 6-chloro-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethylquinoline-3-carboxamide

6-chloro-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethylquinoline-3-carboxamide (PubChem CID 55474720) has the molecular formula C21H19Cl2N3O3 and a molecular weight of 432.31 g/mol. Its IUPAC name is 6-chloro-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethylquinoline-3-carboxamide
PubChem CID55474720
Molecular FormulaC21H19Cl2N3O3
Molecular Weight432.31 g/mol
Exact Mass431.08
IUPAC Name6-chloro-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethylquinoline-3-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cc2cc(Cl)ccc2nc1C
InChIInChI=1S/C21H19Cl2N3O3/c1-12-16(9-13-8-14(22)4-6-17(13)24-12)21(28)26(2)11-20(27)25-18-10-15(23)5-7-19(18)29-3/h4-10H,11H2,1-3H3,(H,25,27)
InChIKeyKPHVOGMJIXEEBH-UHFFFAOYSA-N
XLogP4.57
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.31
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-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

6-chloro-N-[2-(3-methoxyanilino)-2-oxoethyl]-N,2-dimethylquinoline-3-carboxamide
CID 41377679
5,6-dichloro-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylpyridine-3-carboxamide
CID 55329725
6-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-N,2-dimethylquinoline-3-carboxamide
CID 43036888
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-2-[(4-chlorophenoxy)methyl]-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 55445786
2-[2-aminoethyl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 62686650
[4-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-methylcarbamoyl]phenyl] acetate
CID 8620835
4,5-dibromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 55329890
5-bromo-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 9438199
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-2-propylsulfonylbenzamide
CID 55666825
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethyl-5-piperidin-1-ylsulfonylbenzamide
CID 55329981
N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N-methyl-4-propan-2-yloxybenzamide
CID 9438206
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethylquinoline-3-carboxamide?
The IUPAC name of 6-chloro-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethylquinoline-3-carboxamide (CID 55474720) is 6-chloro-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethylquinoline-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethylquinoline-3-carboxamide?
The canonical SMILES for 6-chloro-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethylquinoline-3-carboxamide is COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1cc2cc(Cl)ccc2nc1C.
What is the InChIKey of 6-chloro-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethylquinoline-3-carboxamide?
The InChIKey is KPHVOGMJIXEEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O3/c1-12-16(9-13-8-14(22)4-6-17(13)24-12)21(28)26(2)11-20(27)25-18-10-15(23)5-7-19(18)29-3/h4-10H,11H2,1-3H3,(H,25,27).
What are the key properties of 6-chloro-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethylquinoline-3-carboxamide?
6-chloro-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethylquinoline-3-carboxamide has a molecular weight of 432.31 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-N,2-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 55474720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).