3-(8-hydroxyquinolin-6-yl)-N-(3-phenylpropyl)benzamide

C25H22N2O2 — CID 127030711

IUPAC3-(8-hydroxyquinolin-6-yl)-N-(3-phenylpropyl)benzamide
SMILESO=C(NCCCc1ccccc1)c1cccc(-c2cc(O)c3ncccc3c2)c1
InChIInChI=1S/C25H22N2O2/c28-23-17-22(16-20-12-6-13-26-24(20)23)19-10-4-11-21(15-19)25(29)27-14-5-9-18-7-2-1-3-8-18/h1-4,6-8,10-13,15-17,28H,5,9,14H2,(H,27,29)
InChIKeyNYKBXXGHEMXSBB-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.97
Rot. Bonds6

About 3-(8-hydroxyquinolin-6-yl)-N-(3-phenylpropyl)benzamide

3-(8-hydroxyquinolin-6-yl)-N-(3-phenylpropyl)benzamide (PubChem CID 127030711) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 3-(8-hydroxyquinolin-6-yl)-N-(3-phenylpropyl)benzamide.

Molecular Properties

Compound Name3-(8-hydroxyquinolin-6-yl)-N-(3-phenylpropyl)benzamide
PubChem CID127030711
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name3-(8-hydroxyquinolin-6-yl)-N-(3-phenylpropyl)benzamide
SMILESO=C(NCCCc1ccccc1)c1cccc(-c2cc(O)c3ncccc3c2)c1
InChIInChI=1S/C25H22N2O2/c28-23-17-22(16-20-12-6-13-26-24(20)23)19-10-4-11-21(15-19)25(29)27-14-5-9-18-7-2-1-3-8-18/h1-4,6-8,10-13,15-17,28H,5,9,14H2,(H,27,29)
InChIKeyNYKBXXGHEMXSBB-UHFFFAOYSA-N
XLogP4.97
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(8-hydroxyquinolin-6-yl)-N-(3-phenylpropyl)benzamide 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

Talnetant
CID 5311424
8-Quinolinol, benzoate (1:1)
CID 62626
N-[(8-hydroxyquinolin-7-yl)(phenyl)methyl]pentanamide
CID 3129244
ML324
CID 44143209
N-[(8-Hydroxy-quinolin-7-yl)-p-tolyl-methyl]-butyramide
CID 3129243
N-((8-hydroxyquinolin-7-yl)(4-isopropylphenyl)methyl)acetamide
CID 2921404
N-[(8-Hydroxy-quinolin-7-yl)-(4-isopropyl-phenyl)-methyl]-butyramide
CID 3136125
N-[(4-dimethylaminophenyl)-(8-hydroxy-7-quinolyl)methyl]pentanamide
CID 3129247
N-[(8-Hydroxy-quinolin-7-yl)-p-tolyl-methyl]-propionamide
CID 2876744
Anthranilic acid, N-(alpha-(8-hydroxy-7-quinolyl)benzyl)-
CID 95307
4-[[(8-Hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoic acid
CID 219564
(3-Benzylphenyl)(8-hydroxyquinolin-7-yl)methanone
CID 463001

Frequently Asked Questions

What is the IUPAC name of 3-(8-hydroxyquinolin-6-yl)-N-(3-phenylpropyl)benzamide?
The IUPAC name of 3-(8-hydroxyquinolin-6-yl)-N-(3-phenylpropyl)benzamide (CID 127030711) is 3-(8-hydroxyquinolin-6-yl)-N-(3-phenylpropyl)benzamide.
What is the SMILES notation for 3-(8-hydroxyquinolin-6-yl)-N-(3-phenylpropyl)benzamide?
The canonical SMILES for 3-(8-hydroxyquinolin-6-yl)-N-(3-phenylpropyl)benzamide is O=C(NCCCc1ccccc1)c1cccc(-c2cc(O)c3ncccc3c2)c1.
What is the InChIKey of 3-(8-hydroxyquinolin-6-yl)-N-(3-phenylpropyl)benzamide?
The InChIKey is NYKBXXGHEMXSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c28-23-17-22(16-20-12-6-13-26-24(20)23)19-10-4-11-21(15-19)25(29)27-14-5-9-18-7-2-1-3-8-18/h1-4,6-8,10-13,15-17,28H,5,9,14H2,(H,27,29).
What are the key properties of 3-(8-hydroxyquinolin-6-yl)-N-(3-phenylpropyl)benzamide?
3-(8-hydroxyquinolin-6-yl)-N-(3-phenylpropyl)benzamide has a molecular weight of 382.46 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-hydroxyquinolin-6-yl)-N-(3-phenylpropyl)benzamide is sourced from PubChem (CID 127030711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).