4-[[(2S)-2-benzyl-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide

C23H21N3O3 — CID 16661458

IUPAC4-[[(2S)-2-benzyl-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2c3ccccc3NC(=O)[C@@H]2Cc2ccccc2)cc1
InChIInChI=1S/C23H21N3O3/c27-22(25-29)18-12-10-17(11-13-18)15-26-20-9-5-4-8-19(20)24-23(28)21(26)14-16-6-2-1-3-7-16/h1-13,21,29H,14-15H2,(H,24,28)(H,25,27)/t21-/m0/s1
InChIKeyCKLZDMBNAUWUEQ-NRFANRHFSA-N
MW387.44 g/mol
LogP3.38
Rot. Bonds5

About 4-[[(2S)-2-benzyl-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide

4-[[(2S)-2-benzyl-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide (PubChem CID 16661458) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is 4-[[(2S)-2-benzyl-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[(2S)-2-benzyl-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide
PubChem CID16661458
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC Name4-[[(2S)-2-benzyl-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2c3ccccc3NC(=O)[C@@H]2Cc2ccccc2)cc1
InChIInChI=1S/C23H21N3O3/c27-22(25-29)18-12-10-17(11-13-18)15-26-20-9-5-4-8-19(20)24-23(28)21(26)14-16-6-2-1-3-7-16/h1-13,21,29H,14-15H2,(H,24,28)(H,25,27)/t21-/m0/s1
InChIKeyCKLZDMBNAUWUEQ-NRFANRHFSA-N
XLogP3.38
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-[[(2S)-2-benzyl-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[(2S)-2-benzyl-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide (CID 16661458) is 4-[[(2S)-2-benzyl-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[(2S)-2-benzyl-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[(2S)-2-benzyl-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(CN2c3ccccc3NC(=O)[C@@H]2Cc2ccccc2)cc1.
What is the InChIKey of 4-[[(2S)-2-benzyl-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide?
The InChIKey is CKLZDMBNAUWUEQ-NRFANRHFSA-N. The full InChI is InChI=1S/C23H21N3O3/c27-22(25-29)18-12-10-17(11-13-18)15-26-20-9-5-4-8-19(20)24-23(28)21(26)14-16-6-2-1-3-7-16/h1-13,21,29H,14-15H2,(H,24,28)(H,25,27)/t21-/m0/s1.
What are the key properties of 4-[[(2S)-2-benzyl-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide?
4-[[(2S)-2-benzyl-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide has a molecular weight of 387.44 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-2-benzyl-3-oxo-2,4-dihydroquinoxalin-1-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 16661458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).