2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide

C28H36N2O — CID 4162028

IUPAC2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide
SMILESCCCCCCCCCCCNC(=O)c1cc(-c2ccccc2C)nc2ccccc12
InChIInChI=1S/C28H36N2O/c1-3-4-5-6-7-8-9-10-15-20-29-28(31)25-21-27(23-17-12-11-16-22(23)2)30-26-19-14-13-18-24(25)26/h11-14,16-19,21H,3-10,15,20H2,1-2H3,(H,29,31)
InChIKeyFOTLANYOVVSMOI-UHFFFAOYSA-N
MW416.61 g/mol
LogP7.47
Rot. Bonds12

About 2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide

2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide (PubChem CID 4162028) has the molecular formula C28H36N2O and a molecular weight of 416.61 g/mol. Its IUPAC name is 2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide
PubChem CID4162028
Molecular FormulaC28H36N2O
Molecular Weight416.61 g/mol
Exact Mass416.28
IUPAC Name2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide
SMILESCCCCCCCCCCCNC(=O)c1cc(-c2ccccc2C)nc2ccccc12
InChIInChI=1S/C28H36N2O/c1-3-4-5-6-7-8-9-10-15-20-29-28(31)25-21-27(23-17-12-11-16-22(23)2)30-26-19-14-13-18-24(25)26/h11-14,16-19,21H,3-10,15,20H2,1-2H3,(H,29,31)
InChIKeyFOTLANYOVVSMOI-UHFFFAOYSA-N
XLogP7.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.61
LogP ≤ 57.47
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-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide
CID 4613424
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide
CID 4090468
2-(1,5-dimethylpyrazol-4-yl)-N-octadecylquinoline-4-carboxamide
CID 19512342
2-(2-chlorophenyl)-N-[8-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 5201132
N-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 4192336
2-(3-bromophenyl)-N-decylquinoline-4-carboxamide
CID 5227536
2-(2,4-dimethoxyphenyl)-N-heptylquinoline-4-carboxamide
CID 4565614
2-(2-methylphenyl)-N-[[3-[[[2-(2-methylphenyl)quinoline-4-carbonyl]amino]methyl]phenyl]methyl]quinoline-4-carboxamide
CID 5107909
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-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4540547

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide?
The IUPAC name of 2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide (CID 4162028) is 2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide.
What is the SMILES notation for 2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide?
The canonical SMILES for 2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide is CCCCCCCCCCCNC(=O)c1cc(-c2ccccc2C)nc2ccccc12.
What is the InChIKey of 2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide?
The InChIKey is FOTLANYOVVSMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O/c1-3-4-5-6-7-8-9-10-15-20-29-28(31)25-21-27(23-17-12-11-16-22(23)2)30-26-19-14-13-18-24(25)26/h11-14,16-19,21H,3-10,15,20H2,1-2H3,(H,29,31).
What are the key properties of 2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide?
2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide has a molecular weight of 416.61 g/mol, XLogP of 7.47, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide is sourced from PubChem (CID 4162028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).