2H-quinazolin-8-one

C8H6N2O — CID 22162090

IUPAC2H-quinazolin-8-one
SMILESO=C1C=CC=C2C=NCN=C12
InChIInChI=1S/C8H6N2O/c11-7-3-1-2-6-4-9-5-10-8(6)7/h1-4H,5H2
InChIKeyFGTLMYUPGYSNQV-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.53
Rot. Bonds

About 2H-quinazolin-8-one

2H-quinazolin-8-one (PubChem CID 22162090) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 2H-quinazolin-8-one.

Molecular Properties

Compound Name2H-quinazolin-8-one
PubChem CID22162090
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name2H-quinazolin-8-one
SMILESO=C1C=CC=C2C=NCN=C12
InChIInChI=1S/C8H6N2O/c11-7-3-1-2-6-4-9-5-10-8(6)7/h1-4H,5H2
InChIKeyFGTLMYUPGYSNQV-UHFFFAOYSA-N
XLogP0.53
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}

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Related Compounds

4H-quinolin-8-one
CID 18187031
Benzo[d][2,3]benzodiazepin-11-one
CID 22390468
Quinazolin-8(4h)-one
CID 88162307
Benzocycloheptapyridazinone
CID 129778923
Dibenzo[c,e]azepinone
CID 162368597
6-fluoro-6H-cinnolin-4-one
CID 78176153
8aH-quinolin-8-one
CID 13507518
1,2-Benzodiazepin-9-one
CID 21652193
1,2-Benzodiazepin-9-one;hydrochloride
CID 22364300
Indazol-7-one
CID 23033386
2H-quinazolin-6-one
CID 23189176
Quinazoline-2,8-dione
CID 54222054

Frequently Asked Questions

What is the IUPAC name of 2H-quinazolin-8-one?
The IUPAC name of 2H-quinazolin-8-one (CID 22162090) is 2H-quinazolin-8-one.
What is the SMILES notation for 2H-quinazolin-8-one?
The canonical SMILES for 2H-quinazolin-8-one is O=C1C=CC=C2C=NCN=C12.
What is the InChIKey of 2H-quinazolin-8-one?
The InChIKey is FGTLMYUPGYSNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c11-7-3-1-2-6-4-9-5-10-8(6)7/h1-4H,5H2.
What are the key properties of 2H-quinazolin-8-one?
2H-quinazolin-8-one has a molecular weight of 146.15 g/mol, XLogP of 0.53, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-quinazolin-8-one is sourced from PubChem (CID 22162090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).