7-chloro-3-[(2S)-2-hydroxy-2-(3-nitrophenyl)ethanehydrazonoyl]-1H-quinoxalin-2-one

C16H12ClN5O4 — CID 136801360

IUPAC7-chloro-3-[(2S)-2-hydroxy-2-(3-nitrophenyl)ethanehydrazonoyl]-1H-quinoxalin-2-one
SMILESN/N=C(\c1nc2ccc(Cl)cc2[nH]c1=O)[C@@H](O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H12ClN5O4/c17-9-4-5-11-12(7-9)20-16(24)14(19-11)13(21-18)15(23)8-2-1-3-10(6-8)22(25)26/h1-7,15,23H,18H2,(H,20,24)/b21-13+/t15-/m0/s1
InChIKeyUFPJKNKXVBIGBP-PCXKXAPESA-N
MW373.76 g/mol
LogP1.88
Rot. Bonds4

About 7-chloro-3-[(2S)-2-hydroxy-2-(3-nitrophenyl)ethanehydrazonoyl]-1H-quinoxalin-2-one

7-chloro-3-[(2S)-2-hydroxy-2-(3-nitrophenyl)ethanehydrazonoyl]-1H-quinoxalin-2-one (PubChem CID 136801360) has the molecular formula C16H12ClN5O4 and a molecular weight of 373.76 g/mol. Its IUPAC name is 7-chloro-3-[(2S)-2-hydroxy-2-(3-nitrophenyl)ethanehydrazonoyl]-1H-quinoxalin-2-one.

Molecular Properties

Compound Name7-chloro-3-[(2S)-2-hydroxy-2-(3-nitrophenyl)ethanehydrazonoyl]-1H-quinoxalin-2-one
PubChem CID136801360
Molecular FormulaC16H12ClN5O4
Molecular Weight373.76 g/mol
Exact Mass373.06
IUPAC Name7-chloro-3-[(2S)-2-hydroxy-2-(3-nitrophenyl)ethanehydrazonoyl]-1H-quinoxalin-2-one
SMILESN/N=C(\c1nc2ccc(Cl)cc2[nH]c1=O)[C@@H](O)c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C16H12ClN5O4/c17-9-4-5-11-12(7-9)20-16(24)14(19-11)13(21-18)15(23)8-2-1-3-10(6-8)22(25)26/h1-7,15,23H,18H2,(H,20,24)/b21-13+/t15-/m0/s1
InChIKeyUFPJKNKXVBIGBP-PCXKXAPESA-N
XLogP1.88
TPSA147.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.76
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-chloro-3-[(2S)-2-hydroxy-2-(3-nitrophenyl)ethanehydrazonoyl]-1H-quinoxalin-2-one 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

7-chloro-3-[(E)-N-hydroxy-C-[hydroxy-(3-nitrophenyl)methyl]carbonimidoyl]-1H-quinoxalin-2-one
CID 135499201
3-[(2R)-2-(3,4-dichlorophenyl)-2-hydroxyethanehydrazonoyl]-7-nitro-1H-quinoxalin-2-one
CID 137065978
7-chloro-3-[(E)-N-hydroxy-C-[(R)-hydroxy-(4-nitrophenyl)methyl]carbonimidoyl]-1H-quinoxalin-2-one
CID 136916593
2-amino-1-[(E)-[(2S)-1-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-2-hydroxy-2-(4-nitrophenyl)ethylidene]amino]guanidine
CID 136774500
[(E)-[2-(4-chlorophenyl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]urea
CID 135615111
3-[(Z)-C-[hydroxy-[4-[(2Z)-1-hydroxy-2-(methylhydrazinylidene)-2-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethyl]phenyl]methyl]-N-(methylamino)carbonimidoyl]-7-nitro-1H-quinoxalin-2-one
CID 135499182
3-[(E)-C-[(R)-hydroxy-[4-[(1S,2E)-1-hydroxy-2-(methylhydrazinylidene)-2-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethyl]phenyl]methyl]-N-(methylamino)carbonimidoyl]-7-nitro-1H-quinoxalin-2-one
CID 136754470
3-[(E)-N-anilino-C-[(R)-(2,4-dichlorophenyl)-hydroxymethyl]carbonimidoyl]-7-nitro-1H-quinoxalin-2-one
CID 136866789
3-[(E)-C-[(R)-(3,4-dichlorophenyl)-hydroxymethyl]-N-(dimethylamino)carbonimidoyl]-7-nitro-1H-quinoxalin-2-one
CID 136890851
[(E)-[(2R)-2-(3,4-dichlorophenyl)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)ethylidene]amino]urea
CID 136890882
2-[(E)-[(2S)-2-hydroxy-1-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-2-(4-nitrophenyl)ethylidene]amino]guanidine
CID 136828543
7-chloro-3-[(E)-C-[(R)-[4-[(1S,2Z)-2-(6-chloro-3-oxo-4H-quinoxalin-2-yl)-1-hydroxy-2-(methylhydrazinylidene)ethyl]phenyl]-hydroxymethyl]-N-(methylamino)carbonimidoyl]-1H-quinoxalin-2-one
CID 136756969

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(2S)-2-hydroxy-2-(3-nitrophenyl)ethanehydrazonoyl]-1H-quinoxalin-2-one?
The IUPAC name of 7-chloro-3-[(2S)-2-hydroxy-2-(3-nitrophenyl)ethanehydrazonoyl]-1H-quinoxalin-2-one (CID 136801360) is 7-chloro-3-[(2S)-2-hydroxy-2-(3-nitrophenyl)ethanehydrazonoyl]-1H-quinoxalin-2-one.
What is the SMILES notation for 7-chloro-3-[(2S)-2-hydroxy-2-(3-nitrophenyl)ethanehydrazonoyl]-1H-quinoxalin-2-one?
The canonical SMILES for 7-chloro-3-[(2S)-2-hydroxy-2-(3-nitrophenyl)ethanehydrazonoyl]-1H-quinoxalin-2-one is N/N=C(\c1nc2ccc(Cl)cc2[nH]c1=O)[C@@H](O)c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 7-chloro-3-[(2S)-2-hydroxy-2-(3-nitrophenyl)ethanehydrazonoyl]-1H-quinoxalin-2-one?
The InChIKey is UFPJKNKXVBIGBP-PCXKXAPESA-N. The full InChI is InChI=1S/C16H12ClN5O4/c17-9-4-5-11-12(7-9)20-16(24)14(19-11)13(21-18)15(23)8-2-1-3-10(6-8)22(25)26/h1-7,15,23H,18H2,(H,20,24)/b21-13+/t15-/m0/s1.
What are the key properties of 7-chloro-3-[(2S)-2-hydroxy-2-(3-nitrophenyl)ethanehydrazonoyl]-1H-quinoxalin-2-one?
7-chloro-3-[(2S)-2-hydroxy-2-(3-nitrophenyl)ethanehydrazonoyl]-1H-quinoxalin-2-one has a molecular weight of 373.76 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(2S)-2-hydroxy-2-(3-nitrophenyl)ethanehydrazonoyl]-1H-quinoxalin-2-one is sourced from PubChem (CID 136801360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).