3-methyl-6-(2-methylbutanoyl)-1,4-dihydroquinazolin-2-one

C14H18N2O2 — CID 82010256

IUPAC3-methyl-6-(2-methylbutanoyl)-1,4-dihydroquinazolin-2-one
SMILESCCC(C)C(=O)c1ccc2c(c1)CN(C)C(=O)N2
InChIInChI=1S/C14H18N2O2/c1-4-9(2)13(17)10-5-6-12-11(7-10)8-16(3)14(18)15-12/h5-7,9H,4,8H2,1-3H3,(H,15,18)
InChIKeyJOKPSYFKTAEGNK-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.89
Rot. Bonds3

About 3-methyl-6-(2-methylbutanoyl)-1,4-dihydroquinazolin-2-one

3-methyl-6-(2-methylbutanoyl)-1,4-dihydroquinazolin-2-one (PubChem CID 82010256) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-methyl-6-(2-methylbutanoyl)-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name3-methyl-6-(2-methylbutanoyl)-1,4-dihydroquinazolin-2-one
PubChem CID82010256
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name3-methyl-6-(2-methylbutanoyl)-1,4-dihydroquinazolin-2-one
SMILESCCC(C)C(=O)c1ccc2c(c1)CN(C)C(=O)N2
InChIInChI=1S/C14H18N2O2/c1-4-9(2)13(17)10-5-6-12-11(7-10)8-16(3)14(18)15-12/h5-7,9H,4,8H2,1-3H3,(H,15,18)
InChIKeyJOKPSYFKTAEGNK-UHFFFAOYSA-N
XLogP2.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(4-chlorobutanoyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 105400924
6-(4-bromobenzoyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82005965
6-(2-cyclobutylacetyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 103162574
6-(cyclopentanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82006770
6-(1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009258
6-(cyclohexanecarbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82006893
5-hydroxy-3-methyl-5-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)pentanoic acid
CID 82009697
6-(5-bromofuran-2-carbonyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82006405
6-(1-hydroxy-2,2-dimethylbutyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009726
3-methyl-6-(4-propan-2-ylphenyl)-1,4-dihydroquinazolin-2-one
CID 155179364
3-methyl-6-[1-(methylamino)ethyl]-1,4-dihydroquinazolin-2-one
CID 82009574
6-(1-hydroxyoctyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009925

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(2-methylbutanoyl)-1,4-dihydroquinazolin-2-one?
The IUPAC name of 3-methyl-6-(2-methylbutanoyl)-1,4-dihydroquinazolin-2-one (CID 82010256) is 3-methyl-6-(2-methylbutanoyl)-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 3-methyl-6-(2-methylbutanoyl)-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 3-methyl-6-(2-methylbutanoyl)-1,4-dihydroquinazolin-2-one is CCC(C)C(=O)c1ccc2c(c1)CN(C)C(=O)N2.
What is the InChIKey of 3-methyl-6-(2-methylbutanoyl)-1,4-dihydroquinazolin-2-one?
The InChIKey is JOKPSYFKTAEGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-4-9(2)13(17)10-5-6-12-11(7-10)8-16(3)14(18)15-12/h5-7,9H,4,8H2,1-3H3,(H,15,18).
What are the key properties of 3-methyl-6-(2-methylbutanoyl)-1,4-dihydroquinazolin-2-one?
3-methyl-6-(2-methylbutanoyl)-1,4-dihydroquinazolin-2-one has a molecular weight of 246.31 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(2-methylbutanoyl)-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 82010256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).