N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide

C23H26N2O2 — CID 4540547

IUPACN-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide
SMILESCCCCCCNC(=O)c1cc(-c2cccc(OC)c2)nc2ccccc12
InChIInChI=1S/C23H26N2O2/c1-3-4-5-8-14-24-23(26)20-16-22(17-10-9-11-18(15-17)27-2)25-21-13-7-6-12-19(20)21/h6-7,9-13,15-16H,3-5,8,14H2,1-2H3,(H,24,26)
InChIKeyVADQBNRJZWNCCH-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.22
Rot. Bonds8

About N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide

N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 4540547) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide
PubChem CID4540547
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC NameN-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide
SMILESCCCCCCNC(=O)c1cc(-c2cccc(OC)c2)nc2ccccc12
InChIInChI=1S/C23H26N2O2/c1-3-4-5-8-14-24-23(26)20-16-22(17-10-9-11-18(15-17)27-2)25-21-13-7-6-12-19(20)21/h6-7,9-13,15-16H,3-5,8,14H2,1-2H3,(H,24,26)
InChIKeyVADQBNRJZWNCCH-UHFFFAOYSA-N
XLogP5.22
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-dodecyl-2-phenylquinoline-4-carboxamide
CID 4169141
2-(3,4-dimethoxyphenyl)-N-octylquinoline-4-carboxamide
CID 3664969
2-(3-bromophenyl)-N-decylquinoline-4-carboxamide
CID 5227536
2-(3-methoxyphenyl)-N-[3-[4-[3-[[2-(3-methoxyphenyl)quinoline-4-carbonyl]amino]propyl]piperazin-1-yl]propyl]quinoline-4-carboxamide
CID 4139661
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-(3,4-dimethylphenyl)-N-nonylquinoline-4-carboxamide
CID 4090468
2-(3-methylphenyl)-N-[6-[[2-(3-methylphenyl)quinoline-4-carbonyl]amino]hexyl]quinoline-4-carboxamide
CID 4535019
N-dodecyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 4192336
2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 2078342
2-(3-bromophenyl)-N-[8-[[2-(3-bromophenyl)quinoline-4-carbonyl]amino]octyl]quinoline-4-carboxamide
CID 4132785
1-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]-3-pentylthiourea
CID 9220474

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide (CID 4540547) is N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide is CCCCCCNC(=O)c1cc(-c2cccc(OC)c2)nc2ccccc12.
What is the InChIKey of N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is VADQBNRJZWNCCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-3-4-5-8-14-24-23(26)20-16-22(17-10-9-11-18(15-17)27-2)25-21-13-7-6-12-19(20)21/h6-7,9-13,15-16H,3-5,8,14H2,1-2H3,(H,24,26).
What are the key properties of N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide?
N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-(3-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 4540547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).