(2S)-2-benzyl-N-hydroxy-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide

C16H15N3O3 — CID 16660851

IUPAC(2S)-2-benzyl-N-hydroxy-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
SMILESO=C(NO)c1ccc2c(c1)NC(=O)[C@H](Cc1ccccc1)N2
InChIInChI=1S/C16H15N3O3/c20-15(19-22)11-6-7-12-13(9-11)18-16(21)14(17-12)8-10-4-2-1-3-5-10/h1-7,9,14,17,22H,8H2,(H,18,21)(H,19,20)/t14-/m0/s1
InChIKeyBPPKNAYEXVSLQW-AWEZNQCLSA-N
MW297.31 g/mol
LogP1.78
Rot. Bonds3

About (2S)-2-benzyl-N-hydroxy-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide

(2S)-2-benzyl-N-hydroxy-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide (PubChem CID 16660851) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is (2S)-2-benzyl-N-hydroxy-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide.

Molecular Properties

Compound Name(2S)-2-benzyl-N-hydroxy-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
PubChem CID16660851
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name(2S)-2-benzyl-N-hydroxy-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide
SMILESO=C(NO)c1ccc2c(c1)NC(=O)[C@H](Cc1ccccc1)N2
InChIInChI=1S/C16H15N3O3/c20-15(19-22)11-6-7-12-13(9-11)18-16(21)14(17-12)8-10-4-2-1-3-5-10/h1-7,9,14,17,22H,8H2,(H,18,21)(H,19,20)/t14-/m0/s1
InChIKeyBPPKNAYEXVSLQW-AWEZNQCLSA-N
XLogP1.78
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.78
H-Bond Donors ≤ 54
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 (2S)-2-benzyl-N-hydroxy-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The IUPAC name of (2S)-2-benzyl-N-hydroxy-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide (CID 16660851) is (2S)-2-benzyl-N-hydroxy-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide.
What is the SMILES notation for (2S)-2-benzyl-N-hydroxy-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The canonical SMILES for (2S)-2-benzyl-N-hydroxy-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide is O=C(NO)c1ccc2c(c1)NC(=O)[C@H](Cc1ccccc1)N2.
What is the InChIKey of (2S)-2-benzyl-N-hydroxy-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide?
The InChIKey is BPPKNAYEXVSLQW-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-15(19-22)11-6-7-12-13(9-11)18-16(21)14(17-12)8-10-4-2-1-3-5-10/h1-7,9,14,17,22H,8H2,(H,18,21)(H,19,20)/t14-/m0/s1.
What are the key properties of (2S)-2-benzyl-N-hydroxy-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide?
(2S)-2-benzyl-N-hydroxy-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide has a molecular weight of 297.31 g/mol, XLogP of 1.78, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzyl-N-hydroxy-3-oxo-2,4-dihydro-1H-quinoxaline-6-carboxamide is sourced from PubChem (CID 16660851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).