2-(2,4-dichlorophenyl)-3-methyl-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide

C25H20Cl2N2O — CID 4112030

IUPAC2-(2,4-dichlorophenyl)-3-methyl-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide
SMILESCc1ccc(CNC(=O)c2c(C)c(-c3ccc(Cl)cc3Cl)nc3ccccc23)cc1
InChIInChI=1S/C25H20Cl2N2O/c1-15-7-9-17(10-8-15)14-28-25(30)23-16(2)24(19-12-11-18(26)13-21(19)27)29-22-6-4-3-5-20(22)23/h3-13H,14H2,1-2H3,(H,28,30)
InChIKeyUDKODBRWNAFCOZ-UHFFFAOYSA-N
MW435.35 g/mol
LogP6.76
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-3-methyl-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide

2-(2,4-dichlorophenyl)-3-methyl-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide (PubChem CID 4112030) has the molecular formula C25H20Cl2N2O and a molecular weight of 435.35 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-methyl-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-methyl-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide
PubChem CID4112030
Molecular FormulaC25H20Cl2N2O
Molecular Weight435.35 g/mol
Exact Mass434.10
IUPAC Name2-(2,4-dichlorophenyl)-3-methyl-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide
SMILESCc1ccc(CNC(=O)c2c(C)c(-c3ccc(Cl)cc3Cl)nc3ccccc23)cc1
InChIInChI=1S/C25H20Cl2N2O/c1-15-7-9-17(10-8-15)14-28-25(30)23-16(2)24(19-12-11-18(26)13-21(19)27)29-22-6-4-3-5-20(22)23/h3-13H,14H2,1-2H3,(H,28,30)
InChIKeyUDKODBRWNAFCOZ-UHFFFAOYSA-N
XLogP6.76
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.35
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-N-[8-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]octyl]-3-methylquinoline-4-carboxamide
CID 4245639
2-(2,4-dichlorophenyl)-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide
CID 4162780
N-[2-(3-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide
CID 4651997
2-(2,4-dichlorophenyl)-N-(2-ethylhexyl)-3-methylquinoline-4-carboxamide
CID 5165996
2-(2,4-dichlorophenyl)-3-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 3498763
2-(2,4-dichlorophenyl)-N-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 2259444
2-(2,4-dichlorophenyl)-N-(3-imidazol-1-ylpropyl)-3-methylquinoline-4-carboxamide
CID 3682044
2-(2,4-dichlorophenyl)-3-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide
CID 3662094
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)-3-methylquinoline-4-carbonyl]amino]ethyl]-3-methylquinoline-4-carboxamide
CID 4160455
2-(2,4-dichlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 4108554
dimethyl 2-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate
CID 4124559
N-(furan-2-ylmethyl)-3-methyl-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4195207

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3-methyl-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-methyl-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide (CID 4112030) is 2-(2,4-dichlorophenyl)-3-methyl-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-methyl-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-methyl-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide is Cc1ccc(CNC(=O)c2c(C)c(-c3ccc(Cl)cc3Cl)nc3ccccc23)cc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-methyl-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide?
The InChIKey is UDKODBRWNAFCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N2O/c1-15-7-9-17(10-8-15)14-28-25(30)23-16(2)24(19-12-11-18(26)13-21(19)27)29-22-6-4-3-5-20(22)23/h3-13H,14H2,1-2H3,(H,28,30).
What are the key properties of 2-(2,4-dichlorophenyl)-3-methyl-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide?
2-(2,4-dichlorophenyl)-3-methyl-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide has a molecular weight of 435.35 g/mol, XLogP of 6.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3-methyl-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide is sourced from PubChem (CID 4112030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).