2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide

C27H34N2O — CID 4090468

IUPAC2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide
SMILESCCCCCCCCCNC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12
InChIInChI=1S/C27H34N2O/c1-4-5-6-7-8-9-12-17-28-27(30)24-19-26(22-16-15-20(2)21(3)18-22)29-25-14-11-10-13-23(24)25/h10-11,13-16,18-19H,4-9,12,17H2,1-3H3,(H,28,30)
InChIKeyYGRBVDLYDGUQPJ-UHFFFAOYSA-N
MW402.58 g/mol
LogP7.00
Rot. Bonds10

About 2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide

2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide (PubChem CID 4090468) has the molecular formula C27H34N2O and a molecular weight of 402.58 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide
PubChem CID4090468
Molecular FormulaC27H34N2O
Molecular Weight402.58 g/mol
Exact Mass402.27
IUPAC Name2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide
SMILESCCCCCCCCCNC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12
InChIInChI=1S/C27H34N2O/c1-4-5-6-7-8-9-12-17-28-27(30)24-19-26(22-16-15-20(2)21(3)18-22)29-25-14-11-10-13-23(24)25/h10-11,13-16,18-19H,4-9,12,17H2,1-3H3,(H,28,30)
InChIKeyYGRBVDLYDGUQPJ-UHFFFAOYSA-N
XLogP7.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.58
LogP ≤ 57.00
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

N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
2-(3,4-dimethoxyphenyl)-N-octylquinoline-4-carboxamide
CID 3664969
2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide
CID 4162028
2-(3-bromophenyl)-N-decylquinoline-4-carboxamide
CID 5227536
2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide
CID 4535019
2-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]ethyl-diethylazanium
CID 4114426
2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide
CID 4613424
N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4540547
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-(3,4-dimethylphenyl)-N-[4-[[2-(3,4-dimethylphenyl)quinoline-4-carbonyl]amino]phenyl]quinoline-4-carboxamide
CID 4144858
2-(1,5-dimethylpyrazol-4-yl)-N-octadecylquinoline-4-carboxamide
CID 19512342

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide (CID 4090468) is 2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide is CCCCCCCCCNC(=O)c1cc(-c2ccc(C)c(C)c2)nc2ccccc12.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide?
The InChIKey is YGRBVDLYDGUQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O/c1-4-5-6-7-8-9-12-17-28-27(30)24-19-26(22-16-15-20(2)21(3)18-22)29-25-14-11-10-13-23(24)25/h10-11,13-16,18-19H,4-9,12,17H2,1-3H3,(H,28,30).
What are the key properties of 2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide?
2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide has a molecular weight of 402.58 g/mol, XLogP of 7.00, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide is sourced from PubChem (CID 4090468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).