2H-quinazolin-6-one

C8H6N2O — CID 23189176

IUPAC2H-quinazolin-6-one
SMILESO=C1C=CC2=NCN=CC2=C1
InChIInChI=1S/C8H6N2O/c11-7-1-2-8-6(3-7)4-9-5-10-8/h1-4H,5H2
InChIKeyIHOQYDASEFWPGB-UHFFFAOYSA-N
MW146.15 g/mol
LogP0.53
Rot. Bonds

About 2H-quinazolin-6-one

2H-quinazolin-6-one (PubChem CID 23189176) has the molecular formula C8H6N2O and a molecular weight of 146.15 g/mol. Its IUPAC name is 2H-quinazolin-6-one.

Molecular Properties

Compound Name2H-quinazolin-6-one
PubChem CID23189176
Molecular FormulaC8H6N2O
Molecular Weight146.15 g/mol
Exact Mass146.05
IUPAC Name2H-quinazolin-6-one
SMILESO=C1C=CC2=NCN=CC2=C1
InChIInChI=1S/C8H6N2O/c11-7-1-2-8-6(3-7)4-9-5-10-8/h1-4H,5H2
InChIKeyIHOQYDASEFWPGB-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_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Related Compounds

Quinolin-3-one
CID 19958894
Quinolin-6(2H)-one
CID 19896809
2H-quinazolin-8-one
CID 22162090
Quinazoline-2,8-dione
CID 54222054
6H-quinazolin-2-one
CID 56981577
2H-1,6-naphthyridin-3-one
CID 68814964
1,4-Benzodiazepin-7-one
CID 70224451
Quinazoline-2,6-dione
CID 70471415
2H-1,6-naphthyridin-3-one;hydrochloride
CID 140768673
Benzo[f]indazol-6-one
CID 152146995
Spiro[indole-2,2'-pyridine]-3'-one
CID 156772231
4H-quinolin-6-one
CID 160160968

Frequently Asked Questions

What is the IUPAC name of 2H-quinazolin-6-one?
The IUPAC name of 2H-quinazolin-6-one (CID 23189176) is 2H-quinazolin-6-one.
What is the SMILES notation for 2H-quinazolin-6-one?
The canonical SMILES for 2H-quinazolin-6-one is O=C1C=CC2=NCN=CC2=C1.
What is the InChIKey of 2H-quinazolin-6-one?
The InChIKey is IHOQYDASEFWPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O/c11-7-1-2-8-6(3-7)4-9-5-10-8/h1-4H,5H2.
What are the key properties of 2H-quinazolin-6-one?
2H-quinazolin-6-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-6-one is sourced from PubChem (CID 23189176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).