4-[(1-benzyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]-N-hydroxybenzamide

C30H24N2O4 — CID 162671281

IUPAC4-[(1-benzyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(COc2c(-c3ccccc3)c3ccccc3n(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C30H24N2O4/c33-29(31-35)24-17-15-22(16-18-24)20-36-28-27(23-11-5-2-6-12-23)25-13-7-8-14-26(25)32(30(28)34)19-21-9-3-1-4-10-21/h1-18,35H,19-20H2,(H,31,33)
InChIKeyFUDXGYIFEIWZSI-UHFFFAOYSA-N
MW476.53 g/mol
LogP5.41
Rot. Bonds7

About 4-[(1-benzyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]-N-hydroxybenzamide

4-[(1-benzyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]-N-hydroxybenzamide (PubChem CID 162671281) has the molecular formula C30H24N2O4 and a molecular weight of 476.53 g/mol. Its IUPAC name is 4-[(1-benzyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(1-benzyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]-N-hydroxybenzamide
PubChem CID162671281
Molecular FormulaC30H24N2O4
Molecular Weight476.53 g/mol
Exact Mass476.17
IUPAC Name4-[(1-benzyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(COc2c(-c3ccccc3)c3ccccc3n(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C30H24N2O4/c33-29(31-35)24-17-15-22(16-18-24)20-36-28-27(23-11-5-2-6-12-23)25-13-7-8-14-26(25)32(30(28)34)19-21-9-3-1-4-10-21/h1-18,35H,19-20H2,(H,31,33)
InChIKeyFUDXGYIFEIWZSI-UHFFFAOYSA-N
XLogP5.41
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.53
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[(1-benzyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]-N-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(1-benzyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]-N-hydroxybenzamide (CID 162671281) is 4-[(1-benzyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(1-benzyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(1-benzyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]-N-hydroxybenzamide is O=C(NO)c1ccc(COc2c(-c3ccccc3)c3ccccc3n(Cc3ccccc3)c2=O)cc1.
What is the InChIKey of 4-[(1-benzyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]-N-hydroxybenzamide?
The InChIKey is FUDXGYIFEIWZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O4/c33-29(31-35)24-17-15-22(16-18-24)20-36-28-27(23-11-5-2-6-12-23)25-13-7-8-14-26(25)32(30(28)34)19-21-9-3-1-4-10-21/h1-18,35H,19-20H2,(H,31,33).
What are the key properties of 4-[(1-benzyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]-N-hydroxybenzamide?
4-[(1-benzyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]-N-hydroxybenzamide has a molecular weight of 476.53 g/mol, XLogP of 5.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzyl-2-oxo-4-phenylquinolin-3-yl)oxymethyl]-N-hydroxybenzamide is sourced from PubChem (CID 162671281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).