N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide

C23H22N4O2 — CID 2931561

IUPACN-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCCn3ccnc3)c3ccccc3n2)c1
InChIInChI=1S/C23H22N4O2/c1-29-18-7-4-6-17(14-18)22-15-20(19-8-2-3-9-21(19)26-22)23(28)25-10-5-12-27-13-11-24-16-27/h2-4,6-9,11,13-16H,5,10,12H2,1H3,(H,25,28)
InChIKeyRBZGAPGLBXYVMP-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.93
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide

N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 2931561) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
PubChem CID2931561
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)NCCCn3ccnc3)c3ccccc3n2)c1
InChIInChI=1S/C23H22N4O2/c1-29-18-7-4-6-17(14-18)22-15-20(19-8-2-3-9-21(19)26-22)23(28)25-10-5-12-27-13-11-24-16-27/h2-4,6-9,11,13-16H,5,10,12H2,1H3,(H,25,28)
InChIKeyRBZGAPGLBXYVMP-UHFFFAOYSA-N
XLogP3.93
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-imidazol-1-ylpropyl)-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

Frequently Asked Questions

What is the IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide (CID 2931561) is N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide is COc1cccc(-c2cc(C(=O)NCCCn3ccnc3)c3ccccc3n2)c1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is RBZGAPGLBXYVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-29-18-7-4-6-17(14-18)22-15-20(19-8-2-3-9-21(19)26-22)23(28)25-10-5-12-27-13-11-24-16-27/h2-4,6-9,11,13-16H,5,10,12H2,1H3,(H,25,28).
What are the key properties of N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide?
N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 2931561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).