2-methyl-3H-benzo[g]quinazolin-4-one

C13H10N2O — CID 135411809

IUPAC2-methyl-3H-benzo[g]quinazolin-4-one
SMILESCc1nc2cc3ccccc3cc2c(=O)[nH]1
InChIInChI=1S/C13H10N2O/c1-8-14-12-7-10-5-3-2-4-9(10)6-11(12)13(16)15-8/h2-7H,1H3,(H,14,15,16)
InChIKeyCYCCTYUWQCTYGY-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.38
Rot. Bonds

About 2-methyl-3H-benzo[g]quinazolin-4-one

2-methyl-3H-benzo[g]quinazolin-4-one (PubChem CID 135411809) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 2-methyl-3H-benzo[g]quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3H-benzo[g]quinazolin-4-one
PubChem CID135411809
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name2-methyl-3H-benzo[g]quinazolin-4-one
SMILESCc1nc2cc3ccccc3cc2c(=O)[nH]1
InChIInChI=1S/C13H10N2O/c1-8-14-12-7-10-5-3-2-4-9(10)6-11(12)13(16)15-8/h2-7H,1H3,(H,14,15,16)
InChIKeyCYCCTYUWQCTYGY-UHFFFAOYSA-N
XLogP2.38
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3H-benzo[g]quinazolin-4-one?
The IUPAC name of 2-methyl-3H-benzo[g]quinazolin-4-one (CID 135411809) is 2-methyl-3H-benzo[g]quinazolin-4-one.
What is the SMILES notation for 2-methyl-3H-benzo[g]quinazolin-4-one?
The canonical SMILES for 2-methyl-3H-benzo[g]quinazolin-4-one is Cc1nc2cc3ccccc3cc2c(=O)[nH]1.
What is the InChIKey of 2-methyl-3H-benzo[g]quinazolin-4-one?
The InChIKey is CYCCTYUWQCTYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c1-8-14-12-7-10-5-3-2-4-9(10)6-11(12)13(16)15-8/h2-7H,1H3,(H,14,15,16).
What are the key properties of 2-methyl-3H-benzo[g]quinazolin-4-one?
2-methyl-3H-benzo[g]quinazolin-4-one has a molecular weight of 210.24 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3H-benzo[g]quinazolin-4-one is sourced from PubChem (CID 135411809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).