3-(methylamino)-6-nitro-1H-quinoxalin-2-one

C9H8N4O3 — CID 101049374

IUPAC3-(methylamino)-6-nitro-1H-quinoxalin-2-one
SMILESCNc1nc2cc([N+](=O)[O-])ccc2[nH]c1=O
InChIInChI=1S/C9H8N4O3/c1-10-8-9(14)12-6-3-2-5(13(15)16)4-7(6)11-8/h2-4H,1H3,(H,10,11)(H,12,14)
InChIKeyWDROFRJAAXMLIM-UHFFFAOYSA-N
MW220.19 g/mol
LogP0.87
Rot. Bonds2

About 3-(methylamino)-6-nitro-1H-quinoxalin-2-one

3-(methylamino)-6-nitro-1H-quinoxalin-2-one (PubChem CID 101049374) has the molecular formula C9H8N4O3 and a molecular weight of 220.19 g/mol. Its IUPAC name is 3-(methylamino)-6-nitro-1H-quinoxalin-2-one.

Molecular Properties

Compound Name3-(methylamino)-6-nitro-1H-quinoxalin-2-one
PubChem CID101049374
Molecular FormulaC9H8N4O3
Molecular Weight220.19 g/mol
Exact Mass220.06
IUPAC Name3-(methylamino)-6-nitro-1H-quinoxalin-2-one
SMILESCNc1nc2cc([N+](=O)[O-])ccc2[nH]c1=O
InChIInChI=1S/C9H8N4O3/c1-10-8-9(14)12-6-3-2-5(13(15)16)4-7(6)11-8/h2-4H,1H3,(H,10,11)(H,12,14)
InChIKeyWDROFRJAAXMLIM-UHFFFAOYSA-N
XLogP0.87
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 50.87
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

6-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 4038142
6-nitro-1H-quinoxalin-2-one
CID 1042919
3-[(Z)-2-hydroxy-2-phenylethenyl]-6-nitro-1H-quinoxalin-2-one
CID 135403094
3-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 171979348
6-methoxy-3-(4-nitrophenyl)-1H-quinoxalin-2-one
CID 134852700
3-[(2Z)-2-[(2-hydroxy-6-nitronaphthalen-1-yl)methylidene]hydrazinyl]-1H-quinoxalin-2-one
CID 136719030
N-(6,7-dinitro-3-oxo-4H-quinoxalin-2-yl)methanesulfonamide
CID 54119002
N-methyl-7-nitroquinoxalin-2-amine
CID 119087544
ethane;2-methyl-6-nitro-1H-benzimidazole
CID 90798805
4-hydroxy-3,6-dinitro-1H-quinolin-2-one
CID 54696471
7-nitro-3-phenyl-1H-quinoxalin-2-one
CID 10754287
7-nitro-2-propyl-3H-quinazolin-4-one
CID 136743498

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-6-nitro-1H-quinoxalin-2-one?
The IUPAC name of 3-(methylamino)-6-nitro-1H-quinoxalin-2-one (CID 101049374) is 3-(methylamino)-6-nitro-1H-quinoxalin-2-one.
What is the SMILES notation for 3-(methylamino)-6-nitro-1H-quinoxalin-2-one?
The canonical SMILES for 3-(methylamino)-6-nitro-1H-quinoxalin-2-one is CNc1nc2cc([N+](=O)[O-])ccc2[nH]c1=O.
What is the InChIKey of 3-(methylamino)-6-nitro-1H-quinoxalin-2-one?
The InChIKey is WDROFRJAAXMLIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3/c1-10-8-9(14)12-6-3-2-5(13(15)16)4-7(6)11-8/h2-4H,1H3,(H,10,11)(H,12,14).
What are the key properties of 3-(methylamino)-6-nitro-1H-quinoxalin-2-one?
3-(methylamino)-6-nitro-1H-quinoxalin-2-one has a molecular weight of 220.19 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-6-nitro-1H-quinoxalin-2-one is sourced from PubChem (CID 101049374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).