4a,6-dihydro-4H-quinazolin-5-one

C8H8N2O — CID 69405861

IUPAC4a,6-dihydro-4H-quinazolin-5-one
SMILESO=C1CC=CC2=NC=NCC12
InChIInChI=1S/C8H8N2O/c11-8-3-1-2-7-6(8)4-9-5-10-7/h1-2,5-6H,3-4H2
InChIKeyBVUQRYXXBXKNHV-UHFFFAOYSA-N
MW148.17 g/mol
LogP0.61
Rot. Bonds

About 4a,6-dihydro-4H-quinazolin-5-one

4a,6-dihydro-4H-quinazolin-5-one (PubChem CID 69405861) has the molecular formula C8H8N2O and a molecular weight of 148.17 g/mol. Its IUPAC name is 4a,6-dihydro-4H-quinazolin-5-one.

Molecular Properties

Compound Name4a,6-dihydro-4H-quinazolin-5-one
PubChem CID69405861
Molecular FormulaC8H8N2O
Molecular Weight148.17 g/mol
Exact Mass148.06
IUPAC Name4a,6-dihydro-4H-quinazolin-5-one
SMILESO=C1CC=CC2=NC=NCC12
InChIInChI=1S/C8H8N2O/c11-8-3-1-2-7-6(8)4-9-5-10-7/h1-2,5-6H,3-4H2
InChIKeyBVUQRYXXBXKNHV-UHFFFAOYSA-N
XLogP0.61
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.17
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4a,6-dihydro-4H-quinazolin-5-one?
The IUPAC name of 4a,6-dihydro-4H-quinazolin-5-one (CID 69405861) is 4a,6-dihydro-4H-quinazolin-5-one.
What is the SMILES notation for 4a,6-dihydro-4H-quinazolin-5-one?
The canonical SMILES for 4a,6-dihydro-4H-quinazolin-5-one is O=C1CC=CC2=NC=NCC12.
What is the InChIKey of 4a,6-dihydro-4H-quinazolin-5-one?
The InChIKey is BVUQRYXXBXKNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c11-8-3-1-2-7-6(8)4-9-5-10-7/h1-2,5-6H,3-4H2.
What are the key properties of 4a,6-dihydro-4H-quinazolin-5-one?
4a,6-dihydro-4H-quinazolin-5-one has a molecular weight of 148.17 g/mol, XLogP of 0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,6-dihydro-4H-quinazolin-5-one is sourced from PubChem (CID 69405861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).