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

C25H20Cl2N2O — CID 19647935

IUPACN-(3-chlorophenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3ccc(Cl)cc3)c(C)c(C(=O)Nc3cccc(Cl)c3)c2c1
InChIInChI=1S/C25H20Cl2N2O/c1-14-11-15(2)23-21(12-14)22(25(30)28-20-6-4-5-19(27)13-20)16(3)24(29-23)17-7-9-18(26)10-8-17/h4-13H,1-3H3,(H,28,30)
InChIKeyAJAHNVKEUGQPBO-UHFFFAOYSA-N
MW435.35 g/mol
LogP7.39
Rot. Bonds3

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

N-(3-chlorophenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide (PubChem CID 19647935) has the molecular formula C25H20Cl2N2O and a molecular weight of 435.35 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
PubChem CID19647935
Molecular FormulaC25H20Cl2N2O
Molecular Weight435.35 g/mol
Exact Mass434.10
IUPAC NameN-(3-chlorophenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
SMILESCc1cc(C)c2nc(-c3ccc(Cl)cc3)c(C)c(C(=O)Nc3cccc(Cl)c3)c2c1
InChIInChI=1S/C25H20Cl2N2O/c1-14-11-15(2)23-21(12-14)22(25(30)28-20-6-4-5-19(27)13-20)16(3)24(29-23)17-7-9-18(26)10-8-17/h4-13H,1-3H3,(H,28,30)
InChIKeyAJAHNVKEUGQPBO-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

2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647942
2-(4-chlorophenyl)-N-(2,4-dimethylphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 17261456
N-(5-chloro-2-methylphenyl)-2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647990
N-(2,4-dichlorophenyl)-3,6,8-trimethyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 19647837
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-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647989
N-(3,5-dimethylphenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648086
N-(4-bromo-2-ethylphenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19647961
methyl 2-(3-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxylate
CID 19648439
N-(4-bromophenyl)-2-(4-methoxyphenyl)-3,6,8-trimethylquinoline-4-carboxamide
CID 19648072

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide (CID 19647935) is N-(3-chlorophenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide is Cc1cc(C)c2nc(-c3ccc(Cl)cc3)c(C)c(C(=O)Nc3cccc(Cl)c3)c2c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide?
The InChIKey is AJAHNVKEUGQPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N2O/c1-14-11-15(2)23-21(12-14)22(25(30)28-20-6-4-5-19(27)13-20)16(3)24(29-23)17-7-9-18(26)10-8-17/h4-13H,1-3H3,(H,28,30).
What are the key properties of N-(3-chlorophenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide?
N-(3-chlorophenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-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-chlorophenyl)-2-(4-chlorophenyl)-3,6,8-trimethylquinoline-4-carboxamide is sourced from PubChem (CID 19647935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).