2-methyl-7,8-dihydro-3H-quinazolin-4-one

C9H10N2O — CID 137247970

IUPAC2-methyl-7,8-dihydro-3H-quinazolin-4-one
SMILESCc1nc2c(c(=O)[nH]1)C=CCC2
InChIInChI=1S/C9H10N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2,4H,3,5H2,1H3,(H,10,11,12)
InChIKeyVVWDBNZJLVWJTN-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.04
Rot. Bonds

About 2-methyl-7,8-dihydro-3H-quinazolin-4-one

2-methyl-7,8-dihydro-3H-quinazolin-4-one (PubChem CID 137247970) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-methyl-7,8-dihydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-7,8-dihydro-3H-quinazolin-4-one
PubChem CID137247970
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2-methyl-7,8-dihydro-3H-quinazolin-4-one
SMILESCc1nc2c(c(=O)[nH]1)C=CCC2
InChIInChI=1S/C9H10N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2,4H,3,5H2,1H3,(H,10,11,12)
InChIKeyVVWDBNZJLVWJTN-UHFFFAOYSA-N
XLogP1.04
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7,8-dihydro-3H-quinazolin-4-one?
The IUPAC name of 2-methyl-7,8-dihydro-3H-quinazolin-4-one (CID 137247970) is 2-methyl-7,8-dihydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-methyl-7,8-dihydro-3H-quinazolin-4-one?
The canonical SMILES for 2-methyl-7,8-dihydro-3H-quinazolin-4-one is Cc1nc2c(c(=O)[nH]1)C=CCC2.
What is the InChIKey of 2-methyl-7,8-dihydro-3H-quinazolin-4-one?
The InChIKey is VVWDBNZJLVWJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-6-10-8-5-3-2-4-7(8)9(12)11-6/h2,4H,3,5H2,1H3,(H,10,11,12).
What are the key properties of 2-methyl-7,8-dihydro-3H-quinazolin-4-one?
2-methyl-7,8-dihydro-3H-quinazolin-4-one has a molecular weight of 162.19 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7,8-dihydro-3H-quinazolin-4-one is sourced from PubChem (CID 137247970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).