N-(4-butan-2-ylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide

C27H26N2O — CID 3554541

IUPACN-(4-butan-2-ylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
SMILESCCC(C)c1ccc(NC(=O)c2cc(-c3cccc(C)c3)nc3ccccc23)cc1
InChIInChI=1S/C27H26N2O/c1-4-19(3)20-12-14-22(15-13-20)28-27(30)24-17-26(21-9-7-8-18(2)16-21)29-25-11-6-5-10-23(24)25/h5-17,19H,4H2,1-3H3,(H,28,30)
InChIKeyHVINPXQJZWPLMB-UHFFFAOYSA-N
MW394.52 g/mol
LogP6.98
Rot. Bonds5

About N-(4-butan-2-ylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide

N-(4-butan-2-ylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide (PubChem CID 3554541) has the molecular formula C27H26N2O and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
PubChem CID3554541
Molecular FormulaC27H26N2O
Molecular Weight394.52 g/mol
Exact Mass394.20
IUPAC NameN-(4-butan-2-ylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
SMILESCCC(C)c1ccc(NC(=O)c2cc(-c3cccc(C)c3)nc3ccccc23)cc1
InChIInChI=1S/C27H26N2O/c1-4-19(3)20-12-14-22(15-13-20)28-27(30)24-17-26(21-9-7-8-18(2)16-21)29-25-11-6-5-10-23(24)25/h5-17,19H,4H2,1-3H3,(H,28,30)
InChIKeyHVINPXQJZWPLMB-UHFFFAOYSA-N
XLogP6.98
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 56.98
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
N-[4-(4-butan-2-ylphenyl)-1,3-thiazol-2-yl]-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4641636
2-(3-methylphenyl)-N-(4-phenyldiazenylphenyl)quinoline-4-carboxamide
CID 4657048
2-(4-butan-2-ylphenyl)quinoline-4-carboxylic acid
CID 3796863
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 4149905
N-(4-butan-2-ylphenyl)-8-methyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 17349145
dimethyl 5-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]benzene-1,3-dicarboxylate
CID 1224618
2-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4144858
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-(3-methylphenyl)quinoline-4-carboxamide
CID 1009544
N-(4-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
N-(2-bromophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4159405
2-(3-methylphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 3663866

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide (CID 3554541) is N-(4-butan-2-ylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide is CCC(C)c1ccc(NC(=O)c2cc(-c3cccc(C)c3)nc3ccccc23)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide?
The InChIKey is HVINPXQJZWPLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O/c1-4-19(3)20-12-14-22(15-13-20)28-27(30)24-17-26(21-9-7-8-18(2)16-21)29-25-11-6-5-10-23(24)25/h5-17,19H,4H2,1-3H3,(H,28,30).
What are the key properties of N-(4-butan-2-ylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide?
N-(4-butan-2-ylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 6.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 3554541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).