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

C26H24N2O — CID 3596091

IUPAC2-(3-methylphenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
SMILESCc1cccc(-c2cc(C(=O)Nc3ccc(C(C)C)cc3)c3ccccc3n2)c1
InChIInChI=1S/C26H24N2O/c1-17(2)19-11-13-21(14-12-19)27-26(29)23-16-25(20-8-6-7-18(3)15-20)28-24-10-5-4-9-22(23)24/h4-17H,1-3H3,(H,27,29)
InChIKeyQXUJNKWDGPRBSL-UHFFFAOYSA-N
MW380.49 g/mol
LogP6.59
Rot. Bonds4

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

2-(3-methylphenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide (PubChem CID 3596091) has the molecular formula C26H24N2O and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
PubChem CID3596091
Molecular FormulaC26H24N2O
Molecular Weight380.49 g/mol
Exact Mass380.19
IUPAC Name2-(3-methylphenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
SMILESCc1cccc(-c2cc(C(=O)Nc3ccc(C(C)C)cc3)c3ccccc3n2)c1
InChIInChI=1S/C26H24N2O/c1-17(2)19-11-13-21(14-12-19)27-26(29)23-16-25(20-8-6-7-18(3)15-20)28-24-10-5-4-9-22(23)24/h4-17H,1-3H3,(H,27,29)
InChIKeyQXUJNKWDGPRBSL-UHFFFAOYSA-N
XLogP6.59
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.49
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-butan-2-ylphenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 3554541
2-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide
CID 4149905
2-(3-methylphenyl)-N-(4-phenyldiazenylphenyl)quinoline-4-carboxamide
CID 4657048
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-acetamidophenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4863526
2-(3-methylphenyl)-N-pyridin-2-ylquinoline-4-carboxamide
CID 5113014
2-(3-methylphenyl)-N-(5-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 3595937
N-(2-bromophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4159405
2-(3-methylphenyl)-N-(4-methyl-2-pyridinyl)quinoline-4-carboxamide
CID 3663866
N-(4-chloro-2-fluorophenyl)-2-(3-methylphenyl)quinoline-4-carboxamide
CID 4196964
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide?
The IUPAC name of 2-(3-methylphenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide (CID 3596091) is 2-(3-methylphenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(3-methylphenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide is Cc1cccc(-c2cc(C(=O)Nc3ccc(C(C)C)cc3)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide?
The InChIKey is QXUJNKWDGPRBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O/c1-17(2)19-11-13-21(14-12-19)27-26(29)23-16-25(20-8-6-7-18(3)15-20)28-24-10-5-4-9-22(23)24/h4-17H,1-3H3,(H,27,29).
What are the key properties of 2-(3-methylphenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide?
2-(3-methylphenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 6.59, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-(4-propan-2-ylphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 3596091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).