5,7-dichloro-3-nitro-3,4-dihydro-1H-quinoxalin-2-one

C8H5Cl2N3O3 — CID 23354110

IUPAC5,7-dichloro-3-nitro-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1Nc2cc(Cl)cc(Cl)c2NC1[N+](=O)[O-]
InChIInChI=1S/C8H5Cl2N3O3/c9-3-1-4(10)6-5(2-3)11-8(14)7(12-6)13(15)16/h1-2,7,12H,(H,11,14)
InChIKeyWNNJOKYDUIWKIQ-UHFFFAOYSA-N
MW262.05 g/mol
LogP1.96
Rot. Bonds1

About 5,7-dichloro-3-nitro-3,4-dihydro-1H-quinoxalin-2-one

5,7-dichloro-3-nitro-3,4-dihydro-1H-quinoxalin-2-one (PubChem CID 23354110) has the molecular formula C8H5Cl2N3O3 and a molecular weight of 262.05 g/mol. Its IUPAC name is 5,7-dichloro-3-nitro-3,4-dihydro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name5,7-dichloro-3-nitro-3,4-dihydro-1H-quinoxalin-2-one
PubChem CID23354110
Molecular FormulaC8H5Cl2N3O3
Molecular Weight262.05 g/mol
Exact Mass260.97
IUPAC Name5,7-dichloro-3-nitro-3,4-dihydro-1H-quinoxalin-2-one
SMILESO=C1Nc2cc(Cl)cc(Cl)c2NC1[N+](=O)[O-]
InChIInChI=1S/C8H5Cl2N3O3/c9-3-1-4(10)6-5(2-3)11-8(14)7(12-6)13(15)16/h1-2,7,12H,(H,11,14)
InChIKeyWNNJOKYDUIWKIQ-UHFFFAOYSA-N
XLogP1.96
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.05
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5,7-dichloro-3-nitro-3,4-dihydro-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

8-chloro-3-nitro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 23354292
3-nitro-8-(trifluoromethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 23354419
3-(2-aminoethyl)-4,6-dichloro-1,3-dihydroindol-2-one
CID 131282881
(2R)-6-chloro-2-methyl-8-nitro-4H-1,4-benzoxazin-3-one
CID 11701494
2-(4,6-dichloro-2-oxo-1,3-dihydroindol-3-yl)acetic acid
CID 23354420
6,8-dichloro-1,2,3,3a,5,9b-hexahydrocyclopenta[c]quinolin-4-one
CID 22462444
1,3-dichloro-7,9-dinitro-10H-phenothiazine
CID 121010122
(3R)-6-chloro-2-oxo-1,3-dihydroindole-3-carbaldehyde
CID 98093390
8-chloro-3,6-dimethyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one
CID 84624728
5,7-dichloro-3-(3,3-dimethylbutyl)-1,3-dihydroindol-2-one
CID 106986700
6-chloro-3-(3,3-dimethyl-5-nitropentyl)-1,3-dihydroindol-2-one
CID 123188323
2-(2-aminoethyl)-6,8-dichloro-4H-1,4-benzoxazin-3-one
CID 82233007

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-3-nitro-3,4-dihydro-1H-quinoxalin-2-one?
The IUPAC name of 5,7-dichloro-3-nitro-3,4-dihydro-1H-quinoxalin-2-one (CID 23354110) is 5,7-dichloro-3-nitro-3,4-dihydro-1H-quinoxalin-2-one.
What is the SMILES notation for 5,7-dichloro-3-nitro-3,4-dihydro-1H-quinoxalin-2-one?
The canonical SMILES for 5,7-dichloro-3-nitro-3,4-dihydro-1H-quinoxalin-2-one is O=C1Nc2cc(Cl)cc(Cl)c2NC1[N+](=O)[O-].
What is the InChIKey of 5,7-dichloro-3-nitro-3,4-dihydro-1H-quinoxalin-2-one?
The InChIKey is WNNJOKYDUIWKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2N3O3/c9-3-1-4(10)6-5(2-3)11-8(14)7(12-6)13(15)16/h1-2,7,12H,(H,11,14).
What are the key properties of 5,7-dichloro-3-nitro-3,4-dihydro-1H-quinoxalin-2-one?
5,7-dichloro-3-nitro-3,4-dihydro-1H-quinoxalin-2-one has a molecular weight of 262.05 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-3-nitro-3,4-dihydro-1H-quinoxalin-2-one is sourced from PubChem (CID 23354110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).