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'}

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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).