4-methyl-7-nitro-1H-quinoxaline-2,3-dione

C9H7N3O4 — CID 3799649

IUPAC4-methyl-7-nitro-1H-quinoxaline-2,3-dione
SMILESCn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C9H7N3O4/c1-11-7-3-2-5(12(15)16)4-6(7)10-8(13)9(11)14/h2-4H,1H3,(H,10,13)
InChIKeyIYLOMHHYFYUDKZ-UHFFFAOYSA-N
MW221.17 g/mol
LogP0.14
Rot. Bonds1

About 4-methyl-7-nitro-1H-quinoxaline-2,3-dione

4-methyl-7-nitro-1H-quinoxaline-2,3-dione (PubChem CID 3799649) has the molecular formula C9H7N3O4 and a molecular weight of 221.17 g/mol. Its IUPAC name is 4-methyl-7-nitro-1H-quinoxaline-2,3-dione.

Molecular Properties

Compound Name4-methyl-7-nitro-1H-quinoxaline-2,3-dione
PubChem CID3799649
Molecular FormulaC9H7N3O4
Molecular Weight221.17 g/mol
Exact Mass221.04
IUPAC Name4-methyl-7-nitro-1H-quinoxaline-2,3-dione
SMILESCn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])ccc21
InChIInChI=1S/C9H7N3O4/c1-11-7-3-2-5(12(15)16)4-6(7)10-8(13)9(11)14/h2-4H,1H3,(H,10,13)
InChIKeyIYLOMHHYFYUDKZ-UHFFFAOYSA-N
XLogP0.14
TPSA98.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.17
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', '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
6-Azido-7-nitro-1,4-dihydroquinoxaline-2,3-dione
CID 11334126
Ethanediamide, N1,N2-bis(2,4,6-trinitrophenyl)-
CID 223915
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
1,4-Dimethyl-6,7-dinitroquinoxaline-2,3-dione
CID 3097087
6-Nitroquinoxalin-2-one
CID 1042919
6-Aminoquinoxaline-2,3(1H,4H)-dione
CID 96030
Acetamide, N,N'-(2-nitro-1,4-phenylene)bis-
CID 5154387

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-nitro-1H-quinoxaline-2,3-dione?
The IUPAC name of 4-methyl-7-nitro-1H-quinoxaline-2,3-dione (CID 3799649) is 4-methyl-7-nitro-1H-quinoxaline-2,3-dione.
What is the SMILES notation for 4-methyl-7-nitro-1H-quinoxaline-2,3-dione?
The canonical SMILES for 4-methyl-7-nitro-1H-quinoxaline-2,3-dione is Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])ccc21.
What is the InChIKey of 4-methyl-7-nitro-1H-quinoxaline-2,3-dione?
The InChIKey is IYLOMHHYFYUDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O4/c1-11-7-3-2-5(12(15)16)4-6(7)10-8(13)9(11)14/h2-4H,1H3,(H,10,13).
What are the key properties of 4-methyl-7-nitro-1H-quinoxaline-2,3-dione?
4-methyl-7-nitro-1H-quinoxaline-2,3-dione has a molecular weight of 221.17 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-nitro-1H-quinoxaline-2,3-dione is sourced from PubChem (CID 3799649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).