3-methyl-2H-benzo[f]quinazolin-1-one

C13H10N2O — CID 135838247

IUPAC3-methyl-2H-benzo[f]quinazolin-1-one
SMILESCc1nc2ccc3ccccc3c2c(=O)[nH]1
InChIInChI=1S/C13H10N2O/c1-8-14-11-7-6-9-4-2-3-5-10(9)12(11)13(16)15-8/h2-7H,1H3,(H,14,15,16)
InChIKeyHVULCQPSGYYROI-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.38
Rot. Bonds

About 3-methyl-2H-benzo[f]quinazolin-1-one

3-methyl-2H-benzo[f]quinazolin-1-one (PubChem CID 135838247) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 3-methyl-2H-benzo[f]quinazolin-1-one.

Molecular Properties

Compound Name3-methyl-2H-benzo[f]quinazolin-1-one
PubChem CID135838247
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name3-methyl-2H-benzo[f]quinazolin-1-one
SMILESCc1nc2ccc3ccccc3c2c(=O)[nH]1
InChIInChI=1S/C13H10N2O/c1-8-14-11-7-6-9-4-2-3-5-10(9)12(11)13(16)15-8/h2-7H,1H3,(H,14,15,16)
InChIKeyHVULCQPSGYYROI-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_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2H-benzo[f]quinazolin-1-one?
The IUPAC name of 3-methyl-2H-benzo[f]quinazolin-1-one (CID 135838247) is 3-methyl-2H-benzo[f]quinazolin-1-one.
What is the SMILES notation for 3-methyl-2H-benzo[f]quinazolin-1-one?
The canonical SMILES for 3-methyl-2H-benzo[f]quinazolin-1-one is Cc1nc2ccc3ccccc3c2c(=O)[nH]1.
What is the InChIKey of 3-methyl-2H-benzo[f]quinazolin-1-one?
The InChIKey is HVULCQPSGYYROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c1-8-14-11-7-6-9-4-2-3-5-10(9)12(11)13(16)15-8/h2-7H,1H3,(H,14,15,16).
What are the key properties of 3-methyl-2H-benzo[f]quinazolin-1-one?
3-methyl-2H-benzo[f]quinazolin-1-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 3-methyl-2H-benzo[f]quinazolin-1-one is sourced from PubChem (CID 135838247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).