3-amino-9-methyl-2H-benzo[f]quinazolin-1-one

C13H11N3O — CID 135838211

IUPAC3-amino-9-methyl-2H-benzo[f]quinazolin-1-one
SMILESCc1ccc2ccc3nc(N)[nH]c(=O)c3c2c1
InChIInChI=1S/C13H11N3O/c1-7-2-3-8-4-5-10-11(9(8)6-7)12(17)16-13(14)15-10/h2-6H,1H3,(H3,14,15,16,17)
InChIKeyRSVSQKYNNIYRIO-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.97
Rot. Bonds

About 3-amino-9-methyl-2H-benzo[f]quinazolin-1-one

3-amino-9-methyl-2H-benzo[f]quinazolin-1-one (PubChem CID 135838211) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-amino-9-methyl-2H-benzo[f]quinazolin-1-one.

Molecular Properties

Compound Name3-amino-9-methyl-2H-benzo[f]quinazolin-1-one
PubChem CID135838211
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name3-amino-9-methyl-2H-benzo[f]quinazolin-1-one
SMILESCc1ccc2ccc3nc(N)[nH]c(=O)c3c2c1
InChIInChI=1S/C13H11N3O/c1-7-2-3-8-4-5-10-11(9(8)6-7)12(17)16-13(14)15-10/h2-6H,1H3,(H3,14,15,16,17)
InChIKeyRSVSQKYNNIYRIO-UHFFFAOYSA-N
XLogP1.97
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-amino-9-methyl-2H-benzo[f]quinazolin-1-one?
The IUPAC name of 3-amino-9-methyl-2H-benzo[f]quinazolin-1-one (CID 135838211) is 3-amino-9-methyl-2H-benzo[f]quinazolin-1-one.
What is the SMILES notation for 3-amino-9-methyl-2H-benzo[f]quinazolin-1-one?
The canonical SMILES for 3-amino-9-methyl-2H-benzo[f]quinazolin-1-one is Cc1ccc2ccc3nc(N)[nH]c(=O)c3c2c1.
What is the InChIKey of 3-amino-9-methyl-2H-benzo[f]quinazolin-1-one?
The InChIKey is RSVSQKYNNIYRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-7-2-3-8-4-5-10-11(9(8)6-7)12(17)16-13(14)15-10/h2-6H,1H3,(H3,14,15,16,17).
What are the key properties of 3-amino-9-methyl-2H-benzo[f]quinazolin-1-one?
3-amino-9-methyl-2H-benzo[f]quinazolin-1-one has a molecular weight of 225.25 g/mol, XLogP of 1.97, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-9-methyl-2H-benzo[f]quinazolin-1-one is sourced from PubChem (CID 135838211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).