2-(2,4-dichlorophenyl)-3-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide

C26H22Cl2N2O — CID 3662094

IUPAC2-(2,4-dichlorophenyl)-3-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide
SMILESCc1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C26H22Cl2N2O/c1-15(2)18-8-4-6-10-22(18)30-26(31)24-16(3)25(19-13-12-17(27)14-21(19)28)29-23-11-7-5-9-20(23)24/h4-15H,1-3H3,(H,30,31)
InChIKeyKKVFAQNCCJBZHY-UHFFFAOYSA-N
MW449.38 g/mol
LogP7.89
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-3-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide

2-(2,4-dichlorophenyl)-3-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide (PubChem CID 3662094) has the molecular formula C26H22Cl2N2O and a molecular weight of 449.38 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide
PubChem CID3662094
Molecular FormulaC26H22Cl2N2O
Molecular Weight449.38 g/mol
Exact Mass448.11
IUPAC Name2-(2,4-dichlorophenyl)-3-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide
SMILESCc1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1C(=O)Nc1ccccc1C(C)C
InChIInChI=1S/C26H22Cl2N2O/c1-15(2)18-8-4-6-10-22(18)30-26(31)24-16(3)25(19-13-12-17(27)14-21(19)28)29-23-11-7-5-9-20(23)24/h4-15H,1-3H3,(H,30,31)
InChIKeyKKVFAQNCCJBZHY-UHFFFAOYSA-N
XLogP7.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.38
LogP ≤ 57.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenyl)-3-methyl-N-(6-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 3498763
dimethyl 2-[[2-(2,4-dichlorophenyl)-3-methylquinoline-4-carbonyl]amino]benzene-1,4-dicarboxylate
CID 4124559
2-(2,4-dichlorophenyl)-N-(4-methoxyphenyl)-3-methylquinoline-4-carboxamide
CID 2259444
2-(2,4-dichlorophenyl)-3-methyl-N-(1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 4108554
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)-3-methyl-N-[(4-methylphenyl)methyl]quinoline-4-carboxamide
CID 4112030
N-(3-chloro-2-methylphenyl)-2-(4-chlorophenyl)-3-methylquinoline-4-carboxamide
CID 4598945
N-[2-(3-chlorophenyl)ethyl]-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide
CID 4651997
2,5-dichloro-N-(2-propan-2-ylphenyl)benzamide
CID 966223
2-(2,4-dichlorophenyl)-N-(2-ethylhexyl)-3-methylquinoline-4-carboxamide
CID 5165996
2-(2,4-dichlorophenyl)-3-methyl-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)quinoline-4-carboxamide
CID 3320099
N-[(6S)-3-carbamoyl-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-(2,4-dichlorophenyl)-3-methylquinoline-4-carboxamide
CID 2259532

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide (CID 3662094) is 2-(2,4-dichlorophenyl)-3-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide is Cc1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1C(=O)Nc1ccccc1C(C)C.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide?
The InChIKey is KKVFAQNCCJBZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl2N2O/c1-15(2)18-8-4-6-10-22(18)30-26(31)24-16(3)25(19-13-12-17(27)14-21(19)28)29-23-11-7-5-9-20(23)24/h4-15H,1-3H3,(H,30,31).
What are the key properties of 2-(2,4-dichlorophenyl)-3-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide?
2-(2,4-dichlorophenyl)-3-methyl-N-(2-propan-2-ylphenyl)quinoline-4-carboxamide has a molecular weight of 449.38 g/mol, XLogP of 7.89, 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-(2-propan-2-ylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 3662094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).