2-(2,4-dimethoxyphenyl)-N-heptylquinoline-4-carboxamide

C25H30N2O3 — CID 4565614

IUPAC2-(2,4-dimethoxyphenyl)-N-heptylquinoline-4-carboxamide
SMILESCCCCCCCNC(=O)c1cc(-c2ccc(OC)cc2OC)nc2ccccc12
InChIInChI=1S/C25H30N2O3/c1-4-5-6-7-10-15-26-25(28)21-17-23(27-22-12-9-8-11-19(21)22)20-14-13-18(29-2)16-24(20)30-3/h8-9,11-14,16-17H,4-7,10,15H2,1-3H3,(H,26,28)
InChIKeyFHZOTZJGHMZFIU-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.62
Rot. Bonds10

About 2-(2,4-dimethoxyphenyl)-N-heptylquinoline-4-carboxamide

2-(2,4-dimethoxyphenyl)-N-heptylquinoline-4-carboxamide (PubChem CID 4565614) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-heptylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-heptylquinoline-4-carboxamide
PubChem CID4565614
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name2-(2,4-dimethoxyphenyl)-N-heptylquinoline-4-carboxamide
SMILESCCCCCCCNC(=O)c1cc(-c2ccc(OC)cc2OC)nc2ccccc12
InChIInChI=1S/C25H30N2O3/c1-4-5-6-7-10-15-26-25(28)21-17-23(27-22-12-9-8-11-19(21)22)20-14-13-18(29-2)16-24(20)30-3/h8-9,11-14,16-17H,4-7,10,15H2,1-3H3,(H,26,28)
InChIKeyFHZOTZJGHMZFIU-UHFFFAOYSA-N
XLogP5.62
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)quinoline-4-carboxamide
CID 4193084
N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4540547
2-(3,4-dimethoxyphenyl)-N-octylquinoline-4-carboxamide
CID 3664969
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
2-(2,4-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide
CID 42749556
2-(2,4-dimethoxyphenyl)-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 42749560
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide
CID 3575528
2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide
CID 4162028
2-(2,4-dimethylphenyl)-N-pentylquinoline-4-carboxamide
CID 4613424
2-(2,4-dimethoxyphenyl)-6-fluoro-N-propylquinoline-4-carboxamide
CID 42750246
2-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide
CID 4090468

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-heptylquinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-heptylquinoline-4-carboxamide (CID 4565614) is 2-(2,4-dimethoxyphenyl)-N-heptylquinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-heptylquinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-heptylquinoline-4-carboxamide is CCCCCCCNC(=O)c1cc(-c2ccc(OC)cc2OC)nc2ccccc12.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-heptylquinoline-4-carboxamide?
The InChIKey is FHZOTZJGHMZFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c1-4-5-6-7-10-15-26-25(28)21-17-23(27-22-12-9-8-11-19(21)22)20-14-13-18(29-2)16-24(20)30-3/h8-9,11-14,16-17H,4-7,10,15H2,1-3H3,(H,26,28).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-heptylquinoline-4-carboxamide?
2-(2,4-dimethoxyphenyl)-N-heptylquinoline-4-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 5.62, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-heptylquinoline-4-carboxamide is sourced from PubChem (CID 4565614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).