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

Related Compounds

Atevirdine
CID 60848
5-{[2-(Dimethylamino)ethyl]amino}-8-Methoxy-6h-Imidazo[4,5,1-De]acridin-6-One
CID 11681568
N-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
CID 4055067
WH2PZ15Ppn
CID 438550
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
CID 44520951
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520964
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
(S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl)-7-oxooctyl)-1-methylazetidine-3-carboxamide
CID 11556677
N-methyl-4-[2-(4-propan-2-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
CID 57394290
[(3S)-4,4-difluoro-3-quinolin-2-yloxypiperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 90298273
2-amino-8-methoxy-N-(quinolin-8-ylmethyl)quinazoline-4-carboxamide
CID 122444945

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).