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

C24H24N4O2 — CID 3728297

IUPAC2-(4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NCCCn3ccnc3)c3ccccc3n2)cc1
InChIInChI=1S/C24H24N4O2/c1-2-30-19-10-8-18(9-11-19)23-16-21(20-6-3-4-7-22(20)27-23)24(29)26-12-5-14-28-15-13-25-17-28/h3-4,6-11,13,15-17H,2,5,12,14H2,1H3,(H,26,29)
InChIKeyGBHIPHOGLQHORF-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.32
Rot. Bonds8

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

2-(4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide (PubChem CID 3728297) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
PubChem CID3728297
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name2-(4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide
SMILESCCOc1ccc(-c2cc(C(=O)NCCCn3ccnc3)c3ccccc3n2)cc1
InChIInChI=1S/C24H24N4O2/c1-2-30-19-10-8-18(9-11-19)23-16-21(20-6-3-4-7-22(20)27-23)24(29)26-12-5-14-28-15-13-25-17-28/h3-4,6-11,13,15-17H,2,5,12,14H2,1H3,(H,26,29)
InChIKeyGBHIPHOGLQHORF-UHFFFAOYSA-N
XLogP4.32
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide (CID 3728297) is 2-(4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide is CCOc1ccc(-c2cc(C(=O)NCCCn3ccnc3)c3ccccc3n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide?
The InChIKey is GBHIPHOGLQHORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-2-30-19-10-8-18(9-11-19)23-16-21(20-6-3-4-7-22(20)27-23)24(29)26-12-5-14-28-15-13-25-17-28/h3-4,6-11,13,15-17H,2,5,12,14H2,1H3,(H,26,29).
What are the key properties of 2-(4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide?
2-(4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.32, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-(3-imidazol-1-ylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 3728297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).