8H-quinazolin-2-one

C8H6N2O — CID 152745362

IUPAC8H-quinazolin-2-one
SMILESO=C1N=CC2=CC=CCC2=N1
InChIInChI=1S/C8H6N2O/c11-8-9-5-6-3-1-2-4-7(6)10-8/h1-3,5H,4H2
InChIKeyRDXKPDFPELEXFK-UHFFFAOYSA-N
MW146.15 g/mol
LogP1.52
Rot. Bonds

About 8H-quinazolin-2-one

8H-quinazolin-2-one (PubChem CID 152745362) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 8H-quinazolin-2-one.

Molecular Properties

Compound Name8H-quinazolin-2-one
PubChem CID152745362
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name8H-quinazolin-2-one
SMILESO=C1N=CC2=CC=CCC2=N1
InChIInChI=1S/C8H6N2O/c11-8-9-5-6-3-1-2-4-7(6)10-8/h1-3,5H,4H2
InChIKeyRDXKPDFPELEXFK-UHFFFAOYSA-N
XLogP1.52
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Imidazo[4,5-g]quinolone
CID 129837563
5-(Trifluoromethyl)-1,3-benzodiazepin-2-one
CID 54457645
Azepinoquinazolone
CID 129710748
Pyrrolo[3,2-g]quinazolin-2-one
CID 18184371
Pyrimido[4,5-b]indol-2-one
CID 21868309
1,3-Benzodiazepin-2-one
CID 22227760
6H-quinazolin-2-one
CID 56981577
8-Methanidylidenequinolin-1-ium
CID 60114120
7,8-Dihydroimidazo[4,5-h]quinolin-2-one
CID 67888235
Cyclopenta[g]quinazolin-2-one
CID 87106202
Indeno[2,1-d]pyrimidin-2-one
CID 88497651
8H-pyrido[3,4-d]pyrimidin-2-one
CID 146447975

Frequently Asked Questions

What is the IUPAC name of 8H-quinazolin-2-one?
The IUPAC name of 8H-quinazolin-2-one (CID 152745362) is 8H-quinazolin-2-one.
What is the SMILES notation for 8H-quinazolin-2-one?
The canonical SMILES for 8H-quinazolin-2-one is O=C1N=CC2=CC=CCC2=N1.
What is the InChIKey of 8H-quinazolin-2-one?
The InChIKey is RDXKPDFPELEXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c11-8-9-5-6-3-1-2-4-7(6)10-8/h1-3,5H,4H2.
What are the key properties of 8H-quinazolin-2-one?
8H-quinazolin-2-one has a molecular weight of 146.15 g/mol, XLogP of 1.52, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8H-quinazolin-2-one is sourced from PubChem (CID 152745362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).