2,4,7-trimethyl-7,8-dihydro-6H-quinazolin-5-one

C11H14N2O — CID 22948964

IUPAC2,4,7-trimethyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(C)c2c(n1)CC(C)CC2=O
InChIInChI=1S/C11H14N2O/c1-6-4-9-11(10(14)5-6)7(2)12-8(3)13-9/h6H,4-5H2,1-3H3
InChIKeyLWDHUYITIPYHGV-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.86
Rot. Bonds

About 2,4,7-trimethyl-7,8-dihydro-6H-quinazolin-5-one

2,4,7-trimethyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 22948964) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2,4,7-trimethyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name2,4,7-trimethyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID22948964
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2,4,7-trimethyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1nc(C)c2c(n1)CC(C)CC2=O
InChIInChI=1S/C11H14N2O/c1-6-4-9-11(10(14)5-6)7(2)12-8(3)13-9/h6H,4-5H2,1-3H3
InChIKeyLWDHUYITIPYHGV-UHFFFAOYSA-N
XLogP1.86
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-6,7-dihydrocyclopenta[d]pyrimidin-5-one
CID 83861338
4,7-dimethyl-2-(4-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 16584112
(7S)-4,7-dimethyl-2-[(4-methylquinazolin-2-yl)amino]-7,8-dihydro-6H-quinazolin-5-one
CID 29101578
(7S)-4,7-dimethyl-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-7,8-dihydro-6H-quinazolin-5-one
CID 27261997
4,7-dimethyl-2-(3-methylanilino)-7,8-dihydro-6H-quinazolin-5-one
CID 3159873
1-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-3-phenylurea
CID 17198262
(7R)-4,7-dimethyl-2-(2-phenylethylamino)-7,8-dihydro-6H-quinazolin-5-one
CID 41001731
(7S)-2-[4-(3-chlorophenyl)piperazin-1-yl]-4,7-dimethyl-7,8-dihydro-6H-quinazolin-5-one
CID 40696747
N-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)thiophene-2-carboxamide
CID 17198242
(7R)-4,7-dimethyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-7,8-dihydro-6H-quinazolin-5-one
CID 7601684
2-(4-chloroanilino)-4-(3,5-dimethylanilino)-7-methyl-7,8-dihydro-6H-quinazolin-5-one
CID 43903047
N-(4,7-dimethyl-5-oxo-7,8-dihydro-6H-quinazolin-2-yl)-2-pyridin-2-ylsulfanylacetamide
CID 17198254

Frequently Asked Questions

What is the IUPAC name of 2,4,7-trimethyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 2,4,7-trimethyl-7,8-dihydro-6H-quinazolin-5-one (CID 22948964) is 2,4,7-trimethyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 2,4,7-trimethyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 2,4,7-trimethyl-7,8-dihydro-6H-quinazolin-5-one is Cc1nc(C)c2c(n1)CC(C)CC2=O.
What is the InChIKey of 2,4,7-trimethyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is LWDHUYITIPYHGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-6-4-9-11(10(14)5-6)7(2)12-8(3)13-9/h6H,4-5H2,1-3H3.
What are the key properties of 2,4,7-trimethyl-7,8-dihydro-6H-quinazolin-5-one?
2,4,7-trimethyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 190.25 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7-trimethyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 22948964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).