1H-benzo[g]quinazoline-2,4,5,10-tetrone

C12H6N2O4 — CID 69220020

IUPAC1H-benzo[g]quinazoline-2,4,5,10-tetrone
SMILESO=C1c2ccccc2C(=O)c2c1[nH]c(=O)[nH]c2=O
InChIInChI=1S/C12H6N2O4/c15-9-5-3-1-2-4-6(5)10(16)8-7(9)11(17)14-12(18)13-8/h1-4H,(H2,13,14,17,18)
InChIKeyZRWCNEBQKAOMRI-UHFFFAOYSA-N
MW242.19 g/mol
LogP-0.16
Rot. Bonds

About 1H-benzo[g]quinazoline-2,4,5,10-tetrone

1H-benzo[g]quinazoline-2,4,5,10-tetrone (PubChem CID 69220020) has the molecular formula C12H6N2O4 and a molecular weight of 242.19 g/mol. Its IUPAC name is 1H-benzo[g]quinazoline-2,4,5,10-tetrone.

Molecular Properties

Compound Name1H-benzo[g]quinazoline-2,4,5,10-tetrone
PubChem CID69220020
Molecular FormulaC12H6N2O4
Molecular Weight242.19 g/mol
Exact Mass242.03
IUPAC Name1H-benzo[g]quinazoline-2,4,5,10-tetrone
SMILESO=C1c2ccccc2C(=O)c2c1[nH]c(=O)[nH]c2=O
InChIInChI=1S/C12H6N2O4/c15-9-5-3-1-2-4-6(5)10(16)8-7(9)11(17)14-12(18)13-8/h1-4H,(H2,13,14,17,18)
InChIKeyZRWCNEBQKAOMRI-UHFFFAOYSA-N
XLogP-0.16
TPSA99.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
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 1H-benzo[g]quinazoline-2,4,5,10-tetrone?
The IUPAC name of 1H-benzo[g]quinazoline-2,4,5,10-tetrone (CID 69220020) is 1H-benzo[g]quinazoline-2,4,5,10-tetrone.
What is the SMILES notation for 1H-benzo[g]quinazoline-2,4,5,10-tetrone?
The canonical SMILES for 1H-benzo[g]quinazoline-2,4,5,10-tetrone is O=C1c2ccccc2C(=O)c2c1[nH]c(=O)[nH]c2=O.
What is the InChIKey of 1H-benzo[g]quinazoline-2,4,5,10-tetrone?
The InChIKey is ZRWCNEBQKAOMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N2O4/c15-9-5-3-1-2-4-6(5)10(16)8-7(9)11(17)14-12(18)13-8/h1-4H,(H2,13,14,17,18).
What are the key properties of 1H-benzo[g]quinazoline-2,4,5,10-tetrone?
1H-benzo[g]quinazoline-2,4,5,10-tetrone has a molecular weight of 242.19 g/mol, XLogP of -0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzo[g]quinazoline-2,4,5,10-tetrone is sourced from PubChem (CID 69220020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).