3-amino-7-chloro-6-nitro-1H-quinoxalin-2-one

C8H5ClN4O3 — CID 10752580

IUPAC3-amino-7-chloro-6-nitro-1H-quinoxalin-2-one
SMILESNc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]c1=O
InChIInChI=1S/C8H5ClN4O3/c9-3-1-4-5(2-6(3)13(15)16)11-7(10)8(14)12-4/h1-2H,(H2,10,11)(H,12,14)
InChIKeyKYSCCBYGNBAKIG-UHFFFAOYSA-N
MW240.61 g/mol
LogP1.07
Rot. Bonds1

About 3-amino-7-chloro-6-nitro-1H-quinoxalin-2-one

3-amino-7-chloro-6-nitro-1H-quinoxalin-2-one (PubChem CID 10752580) has the molecular formula C8H5ClN4O3 and a molecular weight of 240.61 g/mol. Its IUPAC name is 3-amino-7-chloro-6-nitro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-amino-7-chloro-6-nitro-1H-quinoxalin-2-one
PubChem CID10752580
Molecular FormulaC8H5ClN4O3
Molecular Weight240.61 g/mol
Exact Mass240.01
IUPAC Name3-amino-7-chloro-6-nitro-1H-quinoxalin-2-one
SMILESNc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]c1=O
InChIInChI=1S/C8H5ClN4O3/c9-3-1-4-5(2-6(3)13(15)16)11-7(10)8(14)12-4/h1-2H,(H2,10,11)(H,12,14)
InChIKeyKYSCCBYGNBAKIG-UHFFFAOYSA-N
XLogP1.07
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.61
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-6-nitro-1,3-dihydrobenzimidazol-2-one
CID 14566226
6,7-dichloro-3-(3,4-dihydroxy-5-nitrophenyl)-1H-quinoxalin-2-one
CID 135665333
6-chloro-2-methylsulfanyl-7-nitro-3H-quinazolin-4-one
CID 171984439
(7-chloro-6-nitro-2-oxo-1H-quinolin-3-yl)phosphonic acid
CID 18184112
N-(6,7-dinitro-3-oxo-4H-quinoxalin-2-yl)methanesulfonamide
CID 54119002
5,6-dichloro-3-nitropyridin-2-amine
CID 15392047
2-chloro-5-methyl-6-nitro-1H-benzimidazole
CID 137189736
5,6,7-trichloro-4-hydroxy-3-nitro-1H-quinolin-2-one
CID 54698129
5-chloro-2-methyl-6-nitro-1H-indole
CID 141450137
5,6-dichloro-3-nitro-1H-pyridin-2-one
CID 125483662
7-chloro-6-fluoro-3-methyl-1H-quinoxalin-2-one
CID 11680094
1-(5-chloro-6-nitro-1H-benzimidazol-2-yl)pyrazole-4-carboxylic acid
CID 135888974

Frequently Asked Questions

What is the IUPAC name of 3-amino-7-chloro-6-nitro-1H-quinoxalin-2-one?
The IUPAC name of 3-amino-7-chloro-6-nitro-1H-quinoxalin-2-one (CID 10752580) is 3-amino-7-chloro-6-nitro-1H-quinoxalin-2-one.
What is the SMILES notation for 3-amino-7-chloro-6-nitro-1H-quinoxalin-2-one?
The canonical SMILES for 3-amino-7-chloro-6-nitro-1H-quinoxalin-2-one is Nc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]c1=O.
What is the InChIKey of 3-amino-7-chloro-6-nitro-1H-quinoxalin-2-one?
The InChIKey is KYSCCBYGNBAKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN4O3/c9-3-1-4-5(2-6(3)13(15)16)11-7(10)8(14)12-4/h1-2H,(H2,10,11)(H,12,14).
What are the key properties of 3-amino-7-chloro-6-nitro-1H-quinoxalin-2-one?
3-amino-7-chloro-6-nitro-1H-quinoxalin-2-one has a molecular weight of 240.61 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-chloro-6-nitro-1H-quinoxalin-2-one is sourced from PubChem (CID 10752580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).