5,7-dihydro-1H-quinazolin-6-one

C8H8N2O — CID 67261637

IUPAC5,7-dihydro-1H-quinazolin-6-one
SMILESO=C1CC=C2NC=NC=C2C1
InChIInChI=1S/C8H8N2O/c11-7-1-2-8-6(3-7)4-9-5-10-8/h2,4-5H,1,3H2,(H,9,10)
InChIKeyAJTWFNMUFMXHEU-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.75
Rot. Bonds

About 5,7-dihydro-1H-quinazolin-6-one

5,7-dihydro-1H-quinazolin-6-one (PubChem CID 67261637) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 5,7-dihydro-1H-quinazolin-6-one.

Molecular Properties

Compound Name5,7-dihydro-1H-quinazolin-6-one
PubChem CID67261637
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name5,7-dihydro-1H-quinazolin-6-one
SMILESO=C1CC=C2NC=NC=C2C1
InChIInChI=1S/C8H8N2O/c11-7-1-2-8-6(3-7)4-9-5-10-8/h2,4-5H,1,3H2,(H,9,10)
InChIKeyAJTWFNMUFMXHEU-UHFFFAOYSA-N
XLogP0.75
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydro-1H-quinazolin-6-one?
The IUPAC name of 5,7-dihydro-1H-quinazolin-6-one (CID 67261637) is 5,7-dihydro-1H-quinazolin-6-one.
What is the SMILES notation for 5,7-dihydro-1H-quinazolin-6-one?
The canonical SMILES for 5,7-dihydro-1H-quinazolin-6-one is O=C1CC=C2NC=NC=C2C1.
What is the InChIKey of 5,7-dihydro-1H-quinazolin-6-one?
The InChIKey is AJTWFNMUFMXHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c11-7-1-2-8-6(3-7)4-9-5-10-8/h2,4-5H,1,3H2,(H,9,10).
What are the key properties of 5,7-dihydro-1H-quinazolin-6-one?
5,7-dihydro-1H-quinazolin-6-one has a molecular weight of 148.16 g/mol, XLogP of 0.75, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydro-1H-quinazolin-6-one is sourced from PubChem (CID 67261637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).