4-[(8-hydroxyquinolin-5-yl)methylamino]-N-phenylbutanamide

C20H21N3O2 — CID 155511425

IUPAC4-[(8-hydroxyquinolin-5-yl)methylamino]-N-phenylbutanamide
SMILESO=C(CCCNCc1ccc(O)c2ncccc12)Nc1ccccc1
InChIInChI=1S/C20H21N3O2/c24-18-11-10-15(17-8-4-13-22-20(17)18)14-21-12-5-9-19(25)23-16-6-2-1-3-7-16/h1-4,6-8,10-11,13,21,24H,5,9,12,14H2,(H,23,25)
InChIKeyYQRMGQNQUZWKAB-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.45
Rot. Bonds7

About 4-[(8-hydroxyquinolin-5-yl)methylamino]-N-phenylbutanamide

4-[(8-hydroxyquinolin-5-yl)methylamino]-N-phenylbutanamide (PubChem CID 155511425) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-[(8-hydroxyquinolin-5-yl)methylamino]-N-phenylbutanamide.

Molecular Properties

Compound Name4-[(8-hydroxyquinolin-5-yl)methylamino]-N-phenylbutanamide
PubChem CID155511425
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-[(8-hydroxyquinolin-5-yl)methylamino]-N-phenylbutanamide
SMILESO=C(CCCNCc1ccc(O)c2ncccc12)Nc1ccccc1
InChIInChI=1S/C20H21N3O2/c24-18-11-10-15(17-8-4-13-22-20(17)18)14-21-12-5-9-19(25)23-16-6-2-1-3-7-16/h1-4,6-8,10-11,13,21,24H,5,9,12,14H2,(H,23,25)
InChIKeyYQRMGQNQUZWKAB-UHFFFAOYSA-N
XLogP3.45
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(8-hydroxyquinolin-5-yl)methylamino]-N-phenylbutanamide 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

3-[(8-hydroxyquinolin-5-yl)methylamino]-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 155528661
4-[(5-bromoquinolin-8-yl)methylamino]butanoic acid
CID 112617701
6-[(8-hydroxyquinolin-5-yl)methylamino]hexyl bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 101209013
5-[(3-chloroanilino)methyl]quinolin-8-ol
CID 698143
N-(8-hydroxyquinolin-5-yl)-2-sulfanylacetamide
CID 45254009
5-(methylsulfanylmethyl)quinolin-8-ol
CID 58730254
N-(8-hydroxyquinolin-5-yl)-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanamide
CID 155521791
5-[(dimethylamino)methyl]quinolin-8-ol
CID 5118731
N-(8-hydroxyquinolin-5-yl)-6-(1,1,3-trioxo-1,2-benzothiazol-2-yl)hexanamide
CID 155556307
3-[(2-fluorophenyl)methylamino]-N-phenylpropanamide
CID 109020896
2-amino-3-(8-hydroxyquinolin-5-yl)propanoic acid;dihydrochloride
CID 154727412
4-(methylamino)-N-phenylbutanamide;hydrochloride
CID 75493451

Frequently Asked Questions

What is the IUPAC name of 4-[(8-hydroxyquinolin-5-yl)methylamino]-N-phenylbutanamide?
The IUPAC name of 4-[(8-hydroxyquinolin-5-yl)methylamino]-N-phenylbutanamide (CID 155511425) is 4-[(8-hydroxyquinolin-5-yl)methylamino]-N-phenylbutanamide.
What is the SMILES notation for 4-[(8-hydroxyquinolin-5-yl)methylamino]-N-phenylbutanamide?
The canonical SMILES for 4-[(8-hydroxyquinolin-5-yl)methylamino]-N-phenylbutanamide is O=C(CCCNCc1ccc(O)c2ncccc12)Nc1ccccc1.
What is the InChIKey of 4-[(8-hydroxyquinolin-5-yl)methylamino]-N-phenylbutanamide?
The InChIKey is YQRMGQNQUZWKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c24-18-11-10-15(17-8-4-13-22-20(17)18)14-21-12-5-9-19(25)23-16-6-2-1-3-7-16/h1-4,6-8,10-11,13,21,24H,5,9,12,14H2,(H,23,25).
What are the key properties of 4-[(8-hydroxyquinolin-5-yl)methylamino]-N-phenylbutanamide?
4-[(8-hydroxyquinolin-5-yl)methylamino]-N-phenylbutanamide has a molecular weight of 335.41 g/mol, XLogP of 3.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-hydroxyquinolin-5-yl)methylamino]-N-phenylbutanamide is sourced from PubChem (CID 155511425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).