6-hydroxy-4aH-quinazolin-4-one

C8H6N2O2 — CID 71650449

IUPAC6-hydroxy-4aH-quinazolin-4-one
SMILESO=C1N=CN=C2C=CC(O)=CC12
InChIInChI=1S/C8H6N2O2/c11-5-1-2-7-6(3-5)8(12)10-4-9-7/h1-4,6,11H
InChIKeyGUKRCNZEKKUDFT-UHFFFAOYSA-N
MW162.15 g/mol
LogP0.62
Rot. Bonds

About 6-hydroxy-4aH-quinazolin-4-one

6-hydroxy-4aH-quinazolin-4-one (PubChem CID 71650449) has the molecular formula C8H6N2O2 and a molecular weight of 162.15 g/mol. Its IUPAC name is 6-hydroxy-4aH-quinazolin-4-one.

Molecular Properties

Compound Name6-hydroxy-4aH-quinazolin-4-one
PubChem CID71650449
Molecular FormulaC8H6N2O2
Molecular Weight162.15 g/mol
Exact Mass162.04
IUPAC Name6-hydroxy-4aH-quinazolin-4-one
SMILESO=C1N=CN=C2C=CC(O)=CC12
InChIInChI=1S/C8H6N2O2/c11-5-1-2-7-6(3-5)8(12)10-4-9-7/h1-4,6,11H
InChIKeyGUKRCNZEKKUDFT-UHFFFAOYSA-N
XLogP0.62
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.15
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4aH-quinazolin-4-one
CID 57015225
7-hydroxy-8aH-isoquinolin-1-one
CID 71304044
6-hydroxy-2-methyl-4aH-quinazolin-4-one
CID 71650448
7-(hydroxymethyl)-4aH-quinazolin-4-one
CID 76651581
7-methoxy-4aH-quinazolin-4-one
CID 76845686

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4aH-quinazolin-4-one?
The IUPAC name of 6-hydroxy-4aH-quinazolin-4-one (CID 71650449) is 6-hydroxy-4aH-quinazolin-4-one.
What is the SMILES notation for 6-hydroxy-4aH-quinazolin-4-one?
The canonical SMILES for 6-hydroxy-4aH-quinazolin-4-one is O=C1N=CN=C2C=CC(O)=CC12.
What is the InChIKey of 6-hydroxy-4aH-quinazolin-4-one?
The InChIKey is GUKRCNZEKKUDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O2/c11-5-1-2-7-6(3-5)8(12)10-4-9-7/h1-4,6,11H.
What are the key properties of 6-hydroxy-4aH-quinazolin-4-one?
6-hydroxy-4aH-quinazolin-4-one has a molecular weight of 162.15 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4aH-quinazolin-4-one is sourced from PubChem (CID 71650449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).