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

C24H24N4O3 — CID 3319655

IUPAC2-(2,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCCn3ccnc3)c3ccccc3n2)c(OC)c1
InChIInChI=1S/C24H24N4O3/c1-30-17-8-9-19(23(14-17)31-2)22-15-20(18-6-3-4-7-21(18)27-22)24(29)26-10-5-12-28-13-11-25-16-28/h3-4,6-9,11,13-16H,5,10,12H2,1-2H3,(H,26,29)
InChIKeyWAVCUVIGHTZSOV-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.94
Rot. Bonds8

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

2-(2,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide (PubChem CID 3319655) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
PubChem CID3319655
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name2-(2,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCCn3ccnc3)c3ccccc3n2)c(OC)c1
InChIInChI=1S/C24H24N4O3/c1-30-17-8-9-19(23(14-17)31-2)22-15-20(18-6-3-4-7-21(18)27-22)24(29)26-10-5-12-28-13-11-25-16-28/h3-4,6-9,11,13-16H,5,10,12H2,1-2H3,(H,26,29)
InChIKeyWAVCUVIGHTZSOV-UHFFFAOYSA-N
XLogP3.94
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide (CID 3319655) is 2-(2,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)NCCCn3ccnc3)c3ccccc3n2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide?
The InChIKey is WAVCUVIGHTZSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-30-17-8-9-19(23(14-17)31-2)22-15-20(18-6-3-4-7-21(18)27-22)24(29)26-10-5-12-28-13-11-25-16-28/h3-4,6-9,11,13-16H,5,10,12H2,1-2H3,(H,26,29).
What are the key properties of 2-(2,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide?
2-(2,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 3319655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).