N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide

C25H20Cl2N2O — CID 5026122

IUPACN-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3cccc(Cl)c3C)c2c1
InChIInChI=1S/C25H20Cl2N2O/c1-14-11-15(2)24-19(12-14)20(13-23(28-24)17-7-9-18(26)10-8-17)25(30)29-22-6-4-5-21(27)16(22)3/h4-13H,1-3H3,(H,29,30)
InChIKeyZOKSMXJEJINDNE-UHFFFAOYSA-N
MW435.35 g/mol
LogP7.39
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide

N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide (PubChem CID 5026122) has the molecular formula C25H20Cl2N2O and a molecular weight of 435.35 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide
PubChem CID5026122
Molecular FormulaC25H20Cl2N2O
Molecular Weight435.35 g/mol
Exact Mass434.10
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3cccc(Cl)c3C)c2c1
InChIInChI=1S/C25H20Cl2N2O/c1-14-11-15(2)24-19(12-14)20(13-23(28-24)17-7-9-18(26)10-8-17)25(30)29-22-6-4-5-21(27)16(22)3/h4-13H,1-3H3,(H,29,30)
InChIKeyZOKSMXJEJINDNE-UHFFFAOYSA-N
XLogP7.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.35
LogP ≤ 57.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647473
N-(2,5-dichlorophenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647463
2-(4-chlorophenyl)-6,8-dimethyl-N-(4-phenoxyphenyl)quinoline-4-carboxamide
CID 9497835
N-benzyl-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 19647542
N-(3-chloro-2-methylphenyl)-2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647989
2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647942
(2-chlorophenyl) 2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxylate
CID 19648166
N-(3,5-dimethylphenyl)-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 17260240
7-chloro-N-(2,3-dimethylphenyl)-8-methyl-2-phenylquinoline-4-carboxamide
CID 3769705
N-(2,6-dimethylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647461
N-[2-chloro-5-(trifluoromethyl)phenyl]-6,8-dimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19647664
2-(4-bromophenyl)-N-(5-chloro-2-methoxyphenyl)-6,8-dimethylquinoline-4-carboxamide
CID 17261439

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide (CID 5026122) is N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide is Cc1cc(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3cccc(Cl)c3C)c2c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide?
The InChIKey is ZOKSMXJEJINDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N2O/c1-14-11-15(2)24-19(12-14)20(13-23(28-24)17-7-9-18(26)10-8-17)25(30)29-22-6-4-5-21(27)16(22)3/h4-13H,1-3H3,(H,29,30).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide?
N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide has a molecular weight of 435.35 g/mol, XLogP of 7.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide is sourced from PubChem (CID 5026122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).