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

C25H20Cl2N2O — CID 4149905

IUPAC2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)cc1
InChIInChI=1S/C25H20Cl2N2O/c1-15(2)16-7-10-18(11-8-16)28-25(30)20-14-24(17-9-12-21(26)22(27)13-17)29-23-6-4-3-5-19(20)23/h3-15H,1-2H3,(H,28,30)
InChIKeyYVGBTXOYOLKWBI-UHFFFAOYSA-N
MW435.35 g/mol
LogP7.58
Rot. Bonds4

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

2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide (PubChem CID 4149905) has the molecular formula C25H20Cl2N2O and a molecular weight of 435.35 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
PubChem CID4149905
Molecular FormulaC25H20Cl2N2O
Molecular Weight435.35 g/mol
Exact Mass434.10
IUPAC Name2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)cc1
InChIInChI=1S/C25H20Cl2N2O/c1-15(2)16-7-10-18(11-8-16)28-25(30)20-14-24(17-9-12-21(26)22(27)13-17)29-23-6-4-3-5-19(20)23/h3-15H,1-2H3,(H,28,30)
InChIKeyYVGBTXOYOLKWBI-UHFFFAOYSA-N
XLogP7.58
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 ≤ 57.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 3596091
2-(3,4-dichlorophenyl)-N-(4-ethylphenyl)quinoline-4-carboxamide
CID 3285016
2-(3,4-dichlorophenyl)-N-[4-(4-propan-2-ylphenyl)-1,3-thiazol-2-yl]quinoline-4-carboxamide
CID 3361056
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
N-(3,4-dichlorophenyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 2339769
2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4144858
N-tert-butyl-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
CID 5043299
2-(3,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 3649172
N-(2,4-dichlorophenyl)-2-(3,4-dichlorophenyl)quinoline-4-carboxamide
CID 3264826
N-(4-butan-2-ylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 3554541
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336
2-(4-chlorophenyl)-N-[4-(dimethylamino)phenyl]quinoline-4-carboxamide
CID 4052341

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide (CID 4149905) is 2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide is CC(C)c1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)cc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide?
The InChIKey is YVGBTXOYOLKWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N2O/c1-15(2)16-7-10-18(11-8-16)28-25(30)20-14-24(17-9-12-21(26)22(27)13-17)29-23-6-4-3-5-19(20)23/h3-15H,1-2H3,(H,28,30).
What are the key properties of 2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide?
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide has a molecular weight of 435.35 g/mol, XLogP of 7.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4149905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).