2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide

C23H26N2O — CID 4613424

IUPAC2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide
SMILESCCCCCNC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12
InChIInChI=1S/C23H26N2O/c1-4-5-8-13-24-23(26)20-15-22(18-12-11-16(2)14-17(18)3)25-21-10-7-6-9-19(20)21/h6-7,9-12,14-15H,4-5,8,13H2,1-3H3,(H,24,26)
InChIKeyXRYWZJFOOMZDBY-UHFFFAOYSA-N
MW346.47 g/mol
LogP5.44
Rot. Bonds6

About 2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide

2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide (PubChem CID 4613424) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide
PubChem CID4613424
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide
SMILESCCCCCNC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12
InChIInChI=1S/C23H26N2O/c1-4-5-8-13-24-23(26)20-15-22(18-12-11-16(2)14-17(18)3)25-21-10-7-6-9-19(20)21/h6-7,9-12,14-15H,4-5,8,13H2,1-3H3,(H,24,26)
InChIKeyXRYWZJFOOMZDBY-UHFFFAOYSA-N
XLogP5.44
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide
CID 4162028
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide
CID 4090468
2-(2,4-dimethylphenyl)-N-[2-[[2-(2,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4178944
2-(2,4-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]quinoline-4-carboxamide
CID 4643106
2-(1,5-dimethylpyrazol-4-yl)-N-octadecylquinoline-4-carboxamide
CID 19512342
2-(2,4-dimethoxyphenyl)-N-heptylquinoline-4-carboxamide
CID 4565614
2-(2,4-dimethylphenyl)-N-(2-ethylphenyl)quinoline-4-carboxamide
CID 3129381
N-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 4192336
2-(5-chlorothiophen-2-yl)-N-pentylquinoline-4-carboxamide
CID 4163216
2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide
CID 4535019
N-cyclopentyl-2-(2,4-dimethylphenyl)quinoline-4-carboxamide
CID 3667431

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide (CID 4613424) is 2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide is CCCCCNC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12.
What is the InChIKey of 2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide?
The InChIKey is XRYWZJFOOMZDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-4-5-8-13-24-23(26)20-15-22(18-12-11-16(2)14-17(18)3)25-21-10-7-6-9-19(20)21/h6-7,9-12,14-15H,4-5,8,13H2,1-3H3,(H,24,26).
What are the key properties of 2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide?
2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide has a molecular weight of 346.47 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide is sourced from PubChem (CID 4613424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).