4-methyl-1,3-dihydronaphtho[2,3-h]quinoxaline-2,7,12-trione

C17H12N2O3 — CID 91691320

IUPAC4-methyl-1,3-dihydronaphtho[2,3-h]quinoxaline-2,7,12-trione
SMILESCN1CC(=O)Nc2c1ccc1c2C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H12N2O3/c1-19-8-13(20)18-15-12(19)7-6-11-14(15)17(22)10-5-3-2-4-9(10)16(11)21/h2-7H,8H2,1H3,(H,18,20)
InChIKeyBEFGBYZAWMCZDF-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.85
Rot. Bonds

About 4-methyl-1,3-dihydronaphtho[2,3-h]quinoxaline-2,7,12-trione

4-methyl-1,3-dihydronaphtho[2,3-h]quinoxaline-2,7,12-trione (PubChem CID 91691320) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-methyl-1,3-dihydronaphtho[2,3-h]quinoxaline-2,7,12-trione.

Molecular Properties

Compound Name4-methyl-1,3-dihydronaphtho[2,3-h]quinoxaline-2,7,12-trione
PubChem CID91691320
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name4-methyl-1,3-dihydronaphtho[2,3-h]quinoxaline-2,7,12-trione
SMILESCN1CC(=O)Nc2c1ccc1c2C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H12N2O3/c1-19-8-13(20)18-15-12(19)7-6-11-14(15)17(22)10-5-3-2-4-9(10)16(11)21/h2-7H,8H2,1H3,(H,18,20)
InChIKeyBEFGBYZAWMCZDF-UHFFFAOYSA-N
XLogP1.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1,3-dihydronaphtho[2,3-h]quinoxaline-2,7,12-trione?
The IUPAC name of 4-methyl-1,3-dihydronaphtho[2,3-h]quinoxaline-2,7,12-trione (CID 91691320) is 4-methyl-1,3-dihydronaphtho[2,3-h]quinoxaline-2,7,12-trione.
What is the SMILES notation for 4-methyl-1,3-dihydronaphtho[2,3-h]quinoxaline-2,7,12-trione?
The canonical SMILES for 4-methyl-1,3-dihydronaphtho[2,3-h]quinoxaline-2,7,12-trione is CN1CC(=O)Nc2c1ccc1c2C(=O)c2ccccc2C1=O.
What is the InChIKey of 4-methyl-1,3-dihydronaphtho[2,3-h]quinoxaline-2,7,12-trione?
The InChIKey is BEFGBYZAWMCZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O3/c1-19-8-13(20)18-15-12(19)7-6-11-14(15)17(22)10-5-3-2-4-9(10)16(11)21/h2-7H,8H2,1H3,(H,18,20).
What are the key properties of 4-methyl-1,3-dihydronaphtho[2,3-h]quinoxaline-2,7,12-trione?
4-methyl-1,3-dihydronaphtho[2,3-h]quinoxaline-2,7,12-trione has a molecular weight of 292.29 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-dihydronaphtho[2,3-h]quinoxaline-2,7,12-trione is sourced from PubChem (CID 91691320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).