6,7,8-trimethyl-3H-quinazolin-4-one

C11H12N2O — CID 137284029

IUPAC6,7,8-trimethyl-3H-quinazolin-4-one
SMILESCc1cc2c(=O)[nH]cnc2c(C)c1C
InChIInChI=1S/C11H12N2O/c1-6-4-9-10(8(3)7(6)2)12-5-13-11(9)14/h4-5H,1-3H3,(H,12,13,14)
InChIKeyOFXJPDJXIDPMCD-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.85
Rot. Bonds

About 6,7,8-trimethyl-3H-quinazolin-4-one

6,7,8-trimethyl-3H-quinazolin-4-one (PubChem CID 137284029) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 6,7,8-trimethyl-3H-quinazolin-4-one.

Molecular Properties

Compound Name6,7,8-trimethyl-3H-quinazolin-4-one
PubChem CID137284029
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name6,7,8-trimethyl-3H-quinazolin-4-one
SMILESCc1cc2c(=O)[nH]cnc2c(C)c1C
InChIInChI=1S/C11H12N2O/c1-6-4-9-10(8(3)7(6)2)12-5-13-11(9)14/h4-5H,1-3H3,(H,12,13,14)
InChIKeyOFXJPDJXIDPMCD-UHFFFAOYSA-N
XLogP1.85
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,8-dimethyl-3H-pyrido[3,4-d]pyrimidin-4-one
CID 135783855
8-bromo-6-methyl-3H-quinazolin-4-one
CID 135743687
6-(4-fluorophenyl)-8-methyl-3H-quinazolin-4-one
CID 155354014
7-methoxy-6-methyl-3H-quinazolin-4-one
CID 135980182
ethyl 7-hydroxy-8-methyl-4-oxo-3H-quinazoline-6-carboxylate
CID 135454319
6-bromo-7-methyl-8-nitro-3H-quinazolin-4-one
CID 135894579
6,8-dimethyl-3H-pyrido[2,3-d]pyrimidine-4,7-dione
CID 160936110
7-chloro-6-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137292826
6-fluoro-8-methoxy-3H-quinazolin-4-one
CID 136677465
6-(4-fluorophenyl)-8-methylsulfanyl-3H-quinazolin-4-one
CID 167090428
ethane;7-methyl-3H-quinazolin-4-one
CID 143636831
5-methyl-4-(2,4,6-trimethylphenyl)-1H-pyrimidin-6-one
CID 136769791

Frequently Asked Questions

What is the IUPAC name of 6,7,8-trimethyl-3H-quinazolin-4-one?
The IUPAC name of 6,7,8-trimethyl-3H-quinazolin-4-one (CID 137284029) is 6,7,8-trimethyl-3H-quinazolin-4-one.
What is the SMILES notation for 6,7,8-trimethyl-3H-quinazolin-4-one?
The canonical SMILES for 6,7,8-trimethyl-3H-quinazolin-4-one is Cc1cc2c(=O)[nH]cnc2c(C)c1C.
What is the InChIKey of 6,7,8-trimethyl-3H-quinazolin-4-one?
The InChIKey is OFXJPDJXIDPMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-6-4-9-10(8(3)7(6)2)12-5-13-11(9)14/h4-5H,1-3H3,(H,12,13,14).
What are the key properties of 6,7,8-trimethyl-3H-quinazolin-4-one?
6,7,8-trimethyl-3H-quinazolin-4-one has a molecular weight of 188.23 g/mol, XLogP of 1.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8-trimethyl-3H-quinazolin-4-one is sourced from PubChem (CID 137284029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).