N-hydroxy-4-[[(2R)-3-oxo-2-(2-phenylethyl)-2,4-dihydroquinoxalin-1-yl]methyl]benzamide

C24H23N3O3 — CID 44571302

IUPACN-hydroxy-4-[[(2R)-3-oxo-2-(2-phenylethyl)-2,4-dihydroquinoxalin-1-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(CN2c3ccccc3NC(=O)[C@H]2CCc2ccccc2)cc1
InChIInChI=1S/C24H23N3O3/c28-23(26-30)19-13-10-18(11-14-19)16-27-21-9-5-4-8-20(21)25-24(29)22(27)15-12-17-6-2-1-3-7-17/h1-11,13-14,22,30H,12,15-16H2,(H,25,29)(H,26,28)/t22-/m1/s1
InChIKeySZCZAFXQJRHUES-JOCHJYFZSA-N
MW401.47 g/mol
LogP3.77
Rot. Bonds6

About N-hydroxy-4-[[(2R)-3-oxo-2-(2-phenylethyl)-2,4-dihydroquinoxalin-1-yl]methyl]benzamide

N-hydroxy-4-[[(2R)-3-oxo-2-(2-phenylethyl)-2,4-dihydroquinoxalin-1-yl]methyl]benzamide (PubChem CID 44571302) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is N-hydroxy-4-[[(2R)-3-oxo-2-(2-phenylethyl)-2,4-dihydroquinoxalin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[(2R)-3-oxo-2-(2-phenylethyl)-2,4-dihydroquinoxalin-1-yl]methyl]benzamide
PubChem CID44571302
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC NameN-hydroxy-4-[[(2R)-3-oxo-2-(2-phenylethyl)-2,4-dihydroquinoxalin-1-yl]methyl]benzamide
SMILESO=C(NO)c1ccc(CN2c3ccccc3NC(=O)[C@H]2CCc2ccccc2)cc1
InChIInChI=1S/C24H23N3O3/c28-23(26-30)19-13-10-18(11-14-19)16-27-21-9-5-4-8-20(21)25-24(29)22(27)15-12-17-6-2-1-3-7-17/h1-11,13-14,22,30H,12,15-16H2,(H,25,29)(H,26,28)/t22-/m1/s1
InChIKeySZCZAFXQJRHUES-JOCHJYFZSA-N
XLogP3.77
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.77
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 N-hydroxy-4-[[(2R)-3-oxo-2-(2-phenylethyl)-2,4-dihydroquinoxalin-1-yl]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[(2R)-3-oxo-2-(2-phenylethyl)-2,4-dihydroquinoxalin-1-yl]methyl]benzamide (CID 44571302) is N-hydroxy-4-[[(2R)-3-oxo-2-(2-phenylethyl)-2,4-dihydroquinoxalin-1-yl]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[(2R)-3-oxo-2-(2-phenylethyl)-2,4-dihydroquinoxalin-1-yl]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[(2R)-3-oxo-2-(2-phenylethyl)-2,4-dihydroquinoxalin-1-yl]methyl]benzamide is O=C(NO)c1ccc(CN2c3ccccc3NC(=O)[C@H]2CCc2ccccc2)cc1.
What is the InChIKey of N-hydroxy-4-[[(2R)-3-oxo-2-(2-phenylethyl)-2,4-dihydroquinoxalin-1-yl]methyl]benzamide?
The InChIKey is SZCZAFXQJRHUES-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H23N3O3/c28-23(26-30)19-13-10-18(11-14-19)16-27-21-9-5-4-8-20(21)25-24(29)22(27)15-12-17-6-2-1-3-7-17/h1-11,13-14,22,30H,12,15-16H2,(H,25,29)(H,26,28)/t22-/m1/s1.
What are the key properties of N-hydroxy-4-[[(2R)-3-oxo-2-(2-phenylethyl)-2,4-dihydroquinoxalin-1-yl]methyl]benzamide?
N-hydroxy-4-[[(2R)-3-oxo-2-(2-phenylethyl)-2,4-dihydroquinoxalin-1-yl]methyl]benzamide has a molecular weight of 401.47 g/mol, XLogP of 3.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[(2R)-3-oxo-2-(2-phenylethyl)-2,4-dihydroquinoxalin-1-yl]methyl]benzamide is sourced from PubChem (CID 44571302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).