2-(3,4-dimethoxyphenyl)-N-octylquinoline-4-carboxamide

C26H32N2O3 — CID 3664969

IUPAC2-(3,4-dimethoxyphenyl)-N-octylquinoline-4-carboxamide
SMILESCCCCCCCCNC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12
InChIInChI=1S/C26H32N2O3/c1-4-5-6-7-8-11-16-27-26(29)21-18-23(28-22-13-10-9-12-20(21)22)19-14-15-24(30-2)25(17-19)31-3/h9-10,12-15,17-18H,4-8,11,16H2,1-3H3,(H,27,29)
InChIKeyMEHUGHDQBYPGHI-UHFFFAOYSA-N
MW420.55 g/mol
LogP6.01
Rot. Bonds11

About 2-(3,4-dimethoxyphenyl)-N-octylquinoline-4-carboxamide

2-(3,4-dimethoxyphenyl)-N-octylquinoline-4-carboxamide (PubChem CID 3664969) has the molecular formula C26H32N2O3 and a molecular weight of 420.55 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-octylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-octylquinoline-4-carboxamide
PubChem CID3664969
Molecular FormulaC26H32N2O3
Molecular Weight420.55 g/mol
Exact Mass420.24
IUPAC Name2-(3,4-dimethoxyphenyl)-N-octylquinoline-4-carboxamide
SMILESCCCCCCCCNC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12
InChIInChI=1S/C26H32N2O3/c1-4-5-6-7-8-11-16-27-26(29)21-18-23(28-22-13-10-9-12-20(21)22)19-14-15-24(30-2)25(17-19)31-3/h9-10,12-15,17-18H,4-8,11,16H2,1-3H3,(H,27,29)
InChIKeyMEHUGHDQBYPGHI-UHFFFAOYSA-N
XLogP6.01
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.55
LogP ≤ 56.01
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-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide
CID 4090468
N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 4540547
2-(2,4-dimethoxyphenyl)-N-heptylquinoline-4-carboxamide
CID 4565614
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
2-(3-bromophenyl)-N-decylquinoline-4-carboxamide
CID 5227536
2-(2-methylphenyl)-N-undecylquinoline-4-carboxamide
CID 4162028
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dimethoxyphenyl)quinoline-4-carboxamide
CID 1000937
2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide
CID 4535019
2-(3,4-dimethoxyphenyl)-N-naphthalen-1-ylquinoline-4-carboxamide
CID 3253298
2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 2078342
1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-pentylthiourea
CID 9220474

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-octylquinoline-4-carboxamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-octylquinoline-4-carboxamide (CID 3664969) is 2-(3,4-dimethoxyphenyl)-N-octylquinoline-4-carboxamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-octylquinoline-4-carboxamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-octylquinoline-4-carboxamide is CCCCCCCCNC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-octylquinoline-4-carboxamide?
The InChIKey is MEHUGHDQBYPGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O3/c1-4-5-6-7-8-11-16-27-26(29)21-18-23(28-22-13-10-9-12-20(21)22)19-14-15-24(30-2)25(17-19)31-3/h9-10,12-15,17-18H,4-8,11,16H2,1-3H3,(H,27,29).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-octylquinoline-4-carboxamide?
2-(3,4-dimethoxyphenyl)-N-octylquinoline-4-carboxamide has a molecular weight of 420.55 g/mol, XLogP of 6.01, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-octylquinoline-4-carboxamide is sourced from PubChem (CID 3664969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).