4-methyl-7-nitro-1,3-dihydroquinoxalin-2-one

C9H9N3O3 — CID 10987458

IUPAC4-methyl-7-nitro-1,3-dihydroquinoxalin-2-one
SMILESCN1CC(=O)Nc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C9H9N3O3/c1-11-5-9(13)10-7-4-6(12(14)15)2-3-8(7)11/h2-4H,5H2,1H3,(H,10,13)
InChIKeyHLWMHDYJVMRXRF-UHFFFAOYSA-N
MW207.19 g/mol
LogP0.98
Rot. Bonds1

About 4-methyl-7-nitro-1,3-dihydroquinoxalin-2-one

4-methyl-7-nitro-1,3-dihydroquinoxalin-2-one (PubChem CID 10987458) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is 4-methyl-7-nitro-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-methyl-7-nitro-1,3-dihydroquinoxalin-2-one
PubChem CID10987458
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name4-methyl-7-nitro-1,3-dihydroquinoxalin-2-one
SMILESCN1CC(=O)Nc2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C9H9N3O3/c1-11-5-9(13)10-7-4-6(12(14)15)2-3-8(7)11/h2-4H,5H2,1H3,(H,10,13)
InChIKeyHLWMHDYJVMRXRF-UHFFFAOYSA-N
XLogP0.98
TPSA75.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Dnqx
CID 3899541
6-Nitro-1,2,3,4-tetrahydroquinoxaline-2,3-dione
CID 4038142
Acetamide, N-(2,4-dinitrophenyl)-
CID 69124
4-Propanoyl-1,2,3,4-tetrahydroquinoxalin-2-one
CID 8551010
5-(4-Methylpiperazin-1-yl)-2-nitroaniline
CID 2760034
6-Azido-7-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 11334126
5,7-Dinitro-1,4-dihydro-quinoxaline-2,3-dione
CID 16760018
1,4-dimethyl-8-nitro-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
CID 4110035
N-(4-nitrophenyl)-2-(1-pyrrolidinyl)acetamide
CID 2959226
N-ethyl-5-(4-methylpiperazin-1-yl)-2-nitroaniline
CID 2974347
1,4-Dimethyl-6,7-dinitroquinoxaline-2,3-dione
CID 3097087
2-Nitro-5-(1-piperazinyl)aniline
CID 602112

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-nitro-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-methyl-7-nitro-1,3-dihydroquinoxalin-2-one (CID 10987458) is 4-methyl-7-nitro-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-methyl-7-nitro-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-methyl-7-nitro-1,3-dihydroquinoxalin-2-one is CN1CC(=O)Nc2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 4-methyl-7-nitro-1,3-dihydroquinoxalin-2-one?
The InChIKey is HLWMHDYJVMRXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O3/c1-11-5-9(13)10-7-4-6(12(14)15)2-3-8(7)11/h2-4H,5H2,1H3,(H,10,13).
What are the key properties of 4-methyl-7-nitro-1,3-dihydroquinoxalin-2-one?
4-methyl-7-nitro-1,3-dihydroquinoxalin-2-one has a molecular weight of 207.19 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-nitro-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 10987458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).