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

C8H8N2O — CID 118257399

IUPAC6,7-dihydro-2H-quinazolin-8-one
SMILESO=C1CCC=C2C=NCN=C12
InChIInChI=1S/C8H8N2O/c11-7-3-1-2-6-4-9-5-10-8(6)7/h2,4H,1,3,5H2
InChIKeyKZWFCQCKFGEVFZ-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.76
Rot. Bonds

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

6,7-dihydro-2H-quinazolin-8-one (PubChem CID 118257399) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 6,7-dihydro-2H-quinazolin-8-one.

Molecular Properties

Compound Name6,7-dihydro-2H-quinazolin-8-one
PubChem CID118257399
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name6,7-dihydro-2H-quinazolin-8-one
SMILESO=C1CCC=C2C=NCN=C12
InChIInChI=1S/C8H8N2O/c11-7-3-1-2-6-4-9-5-10-8(6)7/h2,4H,1,3,5H2
InChIKeyKZWFCQCKFGEVFZ-UHFFFAOYSA-N
XLogP0.76
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,7-dihydro-2H-quinazolin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-2H-quinazolin-8-one?
The IUPAC name of 6,7-dihydro-2H-quinazolin-8-one (CID 118257399) is 6,7-dihydro-2H-quinazolin-8-one.
What is the SMILES notation for 6,7-dihydro-2H-quinazolin-8-one?
The canonical SMILES for 6,7-dihydro-2H-quinazolin-8-one is O=C1CCC=C2C=NCN=C12.
What is the InChIKey of 6,7-dihydro-2H-quinazolin-8-one?
The InChIKey is KZWFCQCKFGEVFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c11-7-3-1-2-6-4-9-5-10-8(6)7/h2,4H,1,3,5H2.
What are the key properties of 6,7-dihydro-2H-quinazolin-8-one?
6,7-dihydro-2H-quinazolin-8-one has a molecular weight of 148.16 g/mol, XLogP of 0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-2H-quinazolin-8-one is sourced from PubChem (CID 118257399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).