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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Related Compounds

4-(4-(2,3-dihydrobenzo(1,4)dioxin-6-yl)-5-pyridin-2-yl-1H-imidazol-2-yl)benzamide
CID 6419753
Azd8542
CID 53344810
N-[5-(1H-Imidazol-2-yl)-2,4-dimethylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 25253713
N-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
CID 4055067
2-{4-[3-(dimethylamino)propoxy]phenyl}-5,6-dihydroimidazo[4,5,1-jk][1,4]benzodiazepin-7(4H)-one
CID 10292240
4-({2-[(4-tert-butylphenyl)(methyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 21037364
4-({2-[(2-tert-butylphenyl)(methyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 22040783
N-methyl-4-[(2-{methyl[2-(trifluoromethyl)phenyl]amino}-1H-1,3-benzodiazol-5-yl)oxy]pyridine-2-carboxamide
CID 22040937
4-({2-[(3-tert-butylphenyl)(methyl)amino]-1H-1,3-benzodiazol-5-yl}oxy)-N-methylpyridine-2-carboxamide
CID 22041319
5-(1-methyl-1H-imidazol-4-yl)-2-[(1-{[4-(trifluoromethoxy)phenyl]acetyl}piperidin-4-yl)oxy]benzamide
CID 118189551
8-Oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]nonacosa-1(28),2(7),3,5,15,17,19,21,25(29),26-decaen-24-one
CID 139593670
TLX agonist 10
CID 162679531

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).