N-hydroxy-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide

C17H15N3O3 — CID 71815543

IUPACN-hydroxy-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide
SMILESO=C(NO)c1ccc2nc(CCc3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C17H15N3O3/c21-16(20-23)12-7-9-13-15(10-12)19-17(22)14(18-13)8-6-11-4-2-1-3-5-11/h1-5,7,9-10,23H,6,8H2,(H,19,22)(H,20,21)
InChIKeyCUXHMDLLZUNMSK-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.83
Rot. Bonds4

About N-hydroxy-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide

N-hydroxy-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide (PubChem CID 71815543) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-hydroxy-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide
PubChem CID71815543
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC NameN-hydroxy-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide
SMILESO=C(NO)c1ccc2nc(CCc3ccccc3)c(=O)[nH]c2c1
InChIInChI=1S/C17H15N3O3/c21-16(20-23)12-7-9-13-15(10-12)19-17(22)14(18-13)8-6-11-4-2-1-3-5-11/h1-5,7,9-10,23H,6,8H2,(H,19,22)(H,20,21)
InChIKeyCUXHMDLLZUNMSK-UHFFFAOYSA-N
XLogP1.83
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.83
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'}

Analyze N-hydroxy-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(oxan-2-yloxy)-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide
CID 71815541
2-oxo-3-(3-phenylpropyl)-1H-quinoxaline-6-carboxylic acid
CID 142706844
N-(oxan-2-yloxy)-2-oxo-3-(2-phenylethyl)-1H-quinoxaline-6-carboxamide
CID 71815483
N-hydroxy-2-(3-phenylphenyl)-3H-benzimidazole-5-carboxamide
CID 122690127
N-hydroxy-2-(2-phenylphenyl)-3H-benzimidazole-5-carboxamide
CID 122690172
2-[(Z)-2-hydroxy-2-(4-methoxyphenyl)ethenyl]-3-oxo-N-(2-phenylethyl)-4H-quinoxaline-6-carboxamide
CID 135522116
N-hydroxy-1-methyl-2-oxo-3-(3-phenylpropyl)quinoxaline-6-carboxamide
CID 71815611
2-benzyl-N-hydroxy-1H-indole-6-carboxamide
CID 87783085
2-(2-chlorophenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690291
N-hydroxy-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide
CID 122690256
3-[2-[3-(2-phenylethyl)-1H-1,2,4-triazol-5-yl]ethyl]-1H-quinoxalin-2-one
CID 50979819
2-(2-acetamidophenyl)-3-oxo-N-(3-phenylpropyl)-4H-quinoxaline-6-carboxamide
CID 122176077

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide?
The IUPAC name of N-hydroxy-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide (CID 71815543) is N-hydroxy-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide.
What is the SMILES notation for N-hydroxy-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide?
The canonical SMILES for N-hydroxy-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide is O=C(NO)c1ccc2nc(CCc3ccccc3)c(=O)[nH]c2c1.
What is the InChIKey of N-hydroxy-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide?
The InChIKey is CUXHMDLLZUNMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c21-16(20-23)12-7-9-13-15(10-12)19-17(22)14(18-13)8-6-11-4-2-1-3-5-11/h1-5,7,9-10,23H,6,8H2,(H,19,22)(H,20,21).
What are the key properties of N-hydroxy-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide?
N-hydroxy-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-oxo-2-(2-phenylethyl)-4H-quinoxaline-6-carboxamide is sourced from PubChem (CID 71815543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).