3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one

C13H12N2O — CID 135838122

IUPAC3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one
SMILESCc1nc2c(c(=O)[nH]1)-c1ccccc1CC2
InChIInChI=1S/C13H12N2O/c1-8-14-11-7-6-9-4-2-3-5-10(9)12(11)13(16)15-8/h2-5H,6-7H2,1H3,(H,14,15,16)
InChIKeyGMTQTFKXSONTDW-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.84
Rot. Bonds

About 3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one

3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one (PubChem CID 135838122) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one.

Molecular Properties

Compound Name3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one
PubChem CID135838122
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one
SMILESCc1nc2c(c(=O)[nH]1)-c1ccccc1CC2
InChIInChI=1S/C13H12N2O/c1-8-14-11-7-6-9-4-2-3-5-10(9)12(11)13(16)15-8/h2-5H,6-7H2,1H3,(H,14,15,16)
InChIKeyGMTQTFKXSONTDW-UHFFFAOYSA-N
XLogP1.84
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one?
The IUPAC name of 3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one (CID 135838122) is 3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one.
What is the SMILES notation for 3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one?
The canonical SMILES for 3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one is Cc1nc2c(c(=O)[nH]1)-c1ccccc1CC2.
What is the InChIKey of 3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one?
The InChIKey is GMTQTFKXSONTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-8-14-11-7-6-9-4-2-3-5-10(9)12(11)13(16)15-8/h2-5H,6-7H2,1H3,(H,14,15,16).
What are the key properties of 3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one?
3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one has a molecular weight of 212.25 g/mol, XLogP of 1.84, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,6-dihydro-2H-benzo[f]quinazolin-1-one is sourced from PubChem (CID 135838122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).