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

C26H22Cl2N2O — CID 19647989

IUPACN-(3-chloro-2-methylphenyl)-2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3cccc(Cl)c3)c(C)c(C(=O)Nc3cccc(Cl)c3C)c2c1
InChIInChI=1S/C26H22Cl2N2O/c1-14-11-15(2)24-20(12-14)23(26(31)29-22-10-6-9-21(28)16(22)3)17(4)25(30-24)18-7-5-8-19(27)13-18/h5-13H,1-4H3,(H,29,31)
InChIKeyUOSLUUREXMMPMQ-UHFFFAOYSA-N
MW449.38 g/mol
LogP7.69
Rot. Bonds3

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

N-(3-chloro-2-methylphenyl)-2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide (PubChem CID 19647989) has the molecular formula C26H22Cl2N2O and a molecular weight of 449.38 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
PubChem CID19647989
Molecular FormulaC26H22Cl2N2O
Molecular Weight449.38 g/mol
Exact Mass448.11
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3cccc(Cl)c3)c(C)c(C(=O)Nc3cccc(Cl)c3C)c2c1
InChIInChI=1S/C26H22Cl2N2O/c1-14-11-15(2)24-20(12-14)23(26(31)29-22-10-6-9-21(28)16(22)3)17(4)25(30-24)18-7-5-8-19(27)13-18/h5-13H,1-4H3,(H,29,31)
InChIKeyUOSLUUREXMMPMQ-UHFFFAOYSA-N
XLogP7.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.38
LogP ≤ 57.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647990
2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647942
methyl 2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxylate
CID 19648439
N-(2,4-dichlorophenyl)-3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19647837
N-(3-chlorophenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647935
2-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 17261456
N-(3-chloro-2-methylphenyl)-6,8-dimethyl-2-phenylquinoline-4-carboxamide
CID 19647473
N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-6,8-dimethylquinoline-4-carboxamide
CID 5026122
(4-methoxyphenyl) 2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxylate
CID 19648426
N-(3,5-dimethylphenyl)-3,6,8-trimethyl-2-phenylquinoline-4-carboxamide
CID 19647901
N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
CID 4598945
N-(4-bromo-2-ethylphenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647961

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide (CID 19647989) is N-(3-chloro-2-methylphenyl)-2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide is Cc1cc(C)c2nc(-c3cccc(Cl)c3)c(C)c(C(=O)Nc3cccc(Cl)c3C)c2c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide?
The InChIKey is UOSLUUREXMMPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N2O/c1-14-11-15(2)24-20(12-14)23(26(31)29-22-10-6-9-21(28)16(22)3)17(4)25(30-24)18-7-5-8-19(27)13-18/h5-13H,1-4H3,(H,29,31).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide?
N-(3-chloro-2-methylphenyl)-2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide has a molecular weight of 449.38 g/mol, XLogP of 7.69, 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-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide is sourced from PubChem (CID 19647989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).