2-methyl-7,8-dihydro-5H-quinazolin-6-one

C9H10N2O — CID 55254528

IUPAC2-methyl-7,8-dihydro-5H-quinazolin-6-one
SMILESCc1ncc2c(n1)CCC(=O)C2
InChIInChI=1S/C9H10N2O/c1-6-10-5-7-4-8(12)2-3-9(7)11-6/h5H,2-4H2,1H3
InChIKeyDBXWCTSAJORLBN-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.84
Rot. Bonds

About 2-methyl-7,8-dihydro-5H-quinazolin-6-one

2-methyl-7,8-dihydro-5H-quinazolin-6-one (PubChem CID 55254528) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-methyl-7,8-dihydro-5H-quinazolin-6-one.

Molecular Properties

Compound Name2-methyl-7,8-dihydro-5H-quinazolin-6-one
PubChem CID55254528
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2-methyl-7,8-dihydro-5H-quinazolin-6-one
SMILESCc1ncc2c(n1)CCC(=O)C2
InChIInChI=1S/C9H10N2O/c1-6-10-5-7-4-8(12)2-3-9(7)11-6/h5H,2-4H2,1H3
InChIKeyDBXWCTSAJORLBN-UHFFFAOYSA-N
XLogP0.84
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7,8-dihydro-5H-quinazolin-6-one?
The IUPAC name of 2-methyl-7,8-dihydro-5H-quinazolin-6-one (CID 55254528) is 2-methyl-7,8-dihydro-5H-quinazolin-6-one.
What is the SMILES notation for 2-methyl-7,8-dihydro-5H-quinazolin-6-one?
The canonical SMILES for 2-methyl-7,8-dihydro-5H-quinazolin-6-one is Cc1ncc2c(n1)CCC(=O)C2.
What is the InChIKey of 2-methyl-7,8-dihydro-5H-quinazolin-6-one?
The InChIKey is DBXWCTSAJORLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-6-10-5-7-4-8(12)2-3-9(7)11-6/h5H,2-4H2,1H3.
What are the key properties of 2-methyl-7,8-dihydro-5H-quinazolin-6-one?
2-methyl-7,8-dihydro-5H-quinazolin-6-one has a molecular weight of 162.19 g/mol, XLogP of 0.84, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7,8-dihydro-5H-quinazolin-6-one is sourced from PubChem (CID 55254528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).