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

C29H23N3O4 — CID 162651475

IUPAC4-[(1-benzyl-2-oxo-4-pyridin-3-ylquinolin-3-yl)oxymethyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(COc2c(-c3cccnc3)c3ccccc3n(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C29H23N3O4/c33-28(31-35)22-14-12-21(13-15-22)19-36-27-26(23-9-6-16-30-17-23)24-10-4-5-11-25(24)32(29(27)34)18-20-7-2-1-3-8-20/h1-17,35H,18-19H2,(H,31,33)
InChIKeySCSSWMSQMPCQQX-UHFFFAOYSA-N
MW477.52 g/mol
LogP4.81
Rot. Bonds7

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

4-[(1-benzyl-2-oxo-4-pyridin-3-ylquinolin-3-yl)oxymethyl]-N-hydroxybenzamide (PubChem CID 162651475) has the molecular formula C29H23N3O4 and a molecular weight of 477.52 g/mol. Its IUPAC name is 4-[(1-benzyl-2-oxo-4-pyridin-3-ylquinolin-3-yl)oxymethyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[(1-benzyl-2-oxo-4-pyridin-3-ylquinolin-3-yl)oxymethyl]-N-hydroxybenzamide
PubChem CID162651475
Molecular FormulaC29H23N3O4
Molecular Weight477.52 g/mol
Exact Mass477.17
IUPAC Name4-[(1-benzyl-2-oxo-4-pyridin-3-ylquinolin-3-yl)oxymethyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(COc2c(-c3cccnc3)c3ccccc3n(Cc3ccccc3)c2=O)cc1
InChIInChI=1S/C29H23N3O4/c33-28(31-35)22-14-12-21(13-15-22)19-36-27-26(23-9-6-16-30-17-23)24-10-4-5-11-25(24)32(29(27)34)18-20-7-2-1-3-8-20/h1-17,35H,18-19H2,(H,31,33)
InChIKeySCSSWMSQMPCQQX-UHFFFAOYSA-N
XLogP4.81
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzyl-2-oxo-4-pyridin-3-ylquinolin-3-yl)oxymethyl]-N-hydroxybenzamide?
The IUPAC name of 4-[(1-benzyl-2-oxo-4-pyridin-3-ylquinolin-3-yl)oxymethyl]-N-hydroxybenzamide (CID 162651475) is 4-[(1-benzyl-2-oxo-4-pyridin-3-ylquinolin-3-yl)oxymethyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[(1-benzyl-2-oxo-4-pyridin-3-ylquinolin-3-yl)oxymethyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[(1-benzyl-2-oxo-4-pyridin-3-ylquinolin-3-yl)oxymethyl]-N-hydroxybenzamide is O=C(NO)c1ccc(COc2c(-c3cccnc3)c3ccccc3n(Cc3ccccc3)c2=O)cc1.
What is the InChIKey of 4-[(1-benzyl-2-oxo-4-pyridin-3-ylquinolin-3-yl)oxymethyl]-N-hydroxybenzamide?
The InChIKey is SCSSWMSQMPCQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O4/c33-28(31-35)22-14-12-21(13-15-22)19-36-27-26(23-9-6-16-30-17-23)24-10-4-5-11-25(24)32(29(27)34)18-20-7-2-1-3-8-20/h1-17,35H,18-19H2,(H,31,33).
What are the key properties of 4-[(1-benzyl-2-oxo-4-pyridin-3-ylquinolin-3-yl)oxymethyl]-N-hydroxybenzamide?
4-[(1-benzyl-2-oxo-4-pyridin-3-ylquinolin-3-yl)oxymethyl]-N-hydroxybenzamide has a molecular weight of 477.52 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzyl-2-oxo-4-pyridin-3-ylquinolin-3-yl)oxymethyl]-N-hydroxybenzamide is sourced from PubChem (CID 162651475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).