N-dodecyl-2-phenylquinoline-4-carboxamide

C28H36N2O — CID 4169141

IUPACN-dodecyl-2-phenylquinoline-4-carboxamide
SMILESCCCCCCCCCCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C28H36N2O/c1-2-3-4-5-6-7-8-9-10-16-21-29-28(31)25-22-27(23-17-12-11-13-18-23)30-26-20-15-14-19-24(25)26/h11-15,17-20,22H,2-10,16,21H2,1H3,(H,29,31)
InChIKeyXCXPHAYARBZTBR-UHFFFAOYSA-N
MW416.61 g/mol
LogP7.55
Rot. Bonds13

About N-dodecyl-2-phenylquinoline-4-carboxamide

N-dodecyl-2-phenylquinoline-4-carboxamide (PubChem CID 4169141) has the molecular formula C28H36N2O and a molecular weight of 416.61 g/mol. Its IUPAC name is N-dodecyl-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-dodecyl-2-phenylquinoline-4-carboxamide
PubChem CID4169141
Molecular FormulaC28H36N2O
Molecular Weight416.61 g/mol
Exact Mass416.28
IUPAC NameN-dodecyl-2-phenylquinoline-4-carboxamide
SMILESCCCCCCCCCCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C28H36N2O/c1-2-3-4-5-6-7-8-9-10-16-21-29-28(31)25-22-27(23-17-12-11-13-18-23)30-26-20-15-14-19-24(25)26/h11-15,17-20,22H,2-10,16,21H2,1H3,(H,29,31)
InChIKeyXCXPHAYARBZTBR-UHFFFAOYSA-N
XLogP7.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.61
LogP ≤ 57.55
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-(3-bromophenyl)-N-decylquinoline-4-carboxamide
CID 5227536
2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide
CID 4090468
N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4540547
2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide
CID 4162028
2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide
CID 4535019
2-(3,4-dimethoxyphenyl)-N-octylquinoline-4-carboxamide
CID 3664969
N-(3-aminopropyl)-2-phenylquinoline-4-carboxamide
CID 162460245
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
N-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 4192336
2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide
CID 4613424
N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide
CID 8991025
N-[3-[(2,2-dichloroacetyl)amino]propyl]-2-phenylquinoline-4-carboxamide
CID 8991107

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-2-phenylquinoline-4-carboxamide?
The IUPAC name of N-dodecyl-2-phenylquinoline-4-carboxamide (CID 4169141) is N-dodecyl-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for N-dodecyl-2-phenylquinoline-4-carboxamide?
The canonical SMILES for N-dodecyl-2-phenylquinoline-4-carboxamide is CCCCCCCCCCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12.
What is the InChIKey of N-dodecyl-2-phenylquinoline-4-carboxamide?
The InChIKey is XCXPHAYARBZTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N2O/c1-2-3-4-5-6-7-8-9-10-16-21-29-28(31)25-22-27(23-17-12-11-13-18-23)30-26-20-15-14-19-24(25)26/h11-15,17-20,22H,2-10,16,21H2,1H3,(H,29,31).
What are the key properties of N-dodecyl-2-phenylquinoline-4-carboxamide?
N-dodecyl-2-phenylquinoline-4-carboxamide has a molecular weight of 416.61 g/mol, XLogP of 7.55, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 4169141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).