2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide

C25H19Cl3N2O — CID 19647942

IUPAC2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3ccc(Cl)cc3)c(C)c(C(=O)Nc3cccc(Cl)c3Cl)c2c1
InChIInChI=1S/C25H19Cl3N2O/c1-13-11-14(2)23-18(12-13)21(25(31)29-20-6-4-5-19(27)22(20)28)15(3)24(30-23)16-7-9-17(26)10-8-16/h4-12H,1-3H3,(H,29,31)
InChIKeyISVSPGCEXQYIND-UHFFFAOYSA-N
MW469.80 g/mol
LogP8.04
Rot. Bonds3

About 2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide

2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide (PubChem CID 19647942) has the molecular formula C25H19Cl3N2O and a molecular weight of 469.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
PubChem CID19647942
Molecular FormulaC25H19Cl3N2O
Molecular Weight469.80 g/mol
Exact Mass468.06
IUPAC Name2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3ccc(Cl)cc3)c(C)c(C(=O)Nc3cccc(Cl)c3Cl)c2c1
InChIInChI=1S/C25H19Cl3N2O/c1-13-11-14(2)23-18(12-13)21(25(31)29-20-6-4-5-19(27)22(20)28)15(3)24(30-23)16-7-9-17(26)10-8-16/h4-12H,1-3H3,(H,29,31)
InChIKeyISVSPGCEXQYIND-UHFFFAOYSA-N
XLogP8.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.80
LogP ≤ 58.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 17261456
N-(2,4-dichlorophenyl)-3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19647837
N-(3-chloro-2-methylphenyl)-2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647989
N-(3-chlorophenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647935
N-(5-chloro-2-methylphenyl)-2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647990
N-(4-bromo-2-ethylphenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647961
N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 5026122
N-(4-chlorophenyl)-3,6,8-trimethyl-2-(4-phenylmethoxyphenyl)quinoline-4-carboxamide
CID 19648013
N-(3,5-dimethylphenyl)-3,6,8-trimethyl-2-phenylquinoline-4-carboxamide
CID 19647901
N-(3,4-dichlorophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648060
N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
CID 4598945
N-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648086

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide (CID 19647942) is 2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide is Cc1cc(C)c2nc(-c3ccc(Cl)cc3)c(C)c(C(=O)Nc3cccc(Cl)c3Cl)c2c1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide?
The InChIKey is ISVSPGCEXQYIND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl3N2O/c1-13-11-14(2)23-18(12-13)21(25(31)29-20-6-4-5-19(27)22(20)28)15(3)24(30-23)16-7-9-17(26)10-8-16/h4-12H,1-3H3,(H,29,31).
What are the key properties of 2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide?
2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide has a molecular weight of 469.80 g/mol, XLogP of 8.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide is sourced from PubChem (CID 19647942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).