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

C18H20N2O — CID 155179364

IUPAC3-methyl-6-(4-propan-2-ylphenyl)-1,4-dihydroquinazolin-2-one
SMILESCC(C)c1ccc(-c2ccc3c(c2)CN(C)C(=O)N3)cc1
InChIInChI=1S/C18H20N2O/c1-12(2)13-4-6-14(7-5-13)15-8-9-17-16(10-15)11-20(3)18(21)19-17/h4-10,12H,11H2,1-3H3,(H,19,21)
InChIKeyHJXQDOFLSZMXDX-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.45
Rot. Bonds2

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

3-methyl-6-(4-propan-2-ylphenyl)-1,4-dihydroquinazolin-2-one (PubChem CID 155179364) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-methyl-6-(4-propan-2-ylphenyl)-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name3-methyl-6-(4-propan-2-ylphenyl)-1,4-dihydroquinazolin-2-one
PubChem CID155179364
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name3-methyl-6-(4-propan-2-ylphenyl)-1,4-dihydroquinazolin-2-one
SMILESCC(C)c1ccc(-c2ccc3c(c2)CN(C)C(=O)N3)cc1
InChIInChI=1S/C18H20N2O/c1-12(2)13-4-6-14(7-5-13)15-8-9-17-16(10-15)11-20(3)18(21)19-17/h4-10,12H,11H2,1-3H3,(H,19,21)
InChIKeyHJXQDOFLSZMXDX-UHFFFAOYSA-N
XLogP4.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-6-(4-methylphenyl)-1,4-dihydroquinazolin-2-one
CID 138535555
6-(1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009258
3-methyl-6-[1-(methylamino)ethyl]-1,4-dihydroquinazolin-2-one
CID 82009574
3-methyl-6-[3-[(1S)-1-pyrrolidin-1-ylethyl]phenyl]-1,4-dihydroquinazolin-2-one
CID 125437544
6-[chloro-(3-chlorophenyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010181
6-[chloro-(5-chlorofuran-2-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 106689209
3-methyl-6-nitro-1,4-dihydroquinazolin-2-one
CID 57415942
6-[hydroxy-(2-methylcyclopropyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010582
3-methyl-6-(2,2,3,3,3-pentafluoro-1-hydroxypropyl)-1,4-dihydroquinazolin-2-one
CID 82009472
6-[chloro(cyclobutyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009732
6-[amino-(2,5-dichlorothiophen-3-yl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 107961289
6-(1-hydroxy-2,2-dimethylbutyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009726

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(4-propan-2-ylphenyl)-1,4-dihydroquinazolin-2-one?
The IUPAC name of 3-methyl-6-(4-propan-2-ylphenyl)-1,4-dihydroquinazolin-2-one (CID 155179364) is 3-methyl-6-(4-propan-2-ylphenyl)-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 3-methyl-6-(4-propan-2-ylphenyl)-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 3-methyl-6-(4-propan-2-ylphenyl)-1,4-dihydroquinazolin-2-one is CC(C)c1ccc(-c2ccc3c(c2)CN(C)C(=O)N3)cc1.
What is the InChIKey of 3-methyl-6-(4-propan-2-ylphenyl)-1,4-dihydroquinazolin-2-one?
The InChIKey is HJXQDOFLSZMXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12(2)13-4-6-14(7-5-13)15-8-9-17-16(10-15)11-20(3)18(21)19-17/h4-10,12H,11H2,1-3H3,(H,19,21).
What are the key properties of 3-methyl-6-(4-propan-2-ylphenyl)-1,4-dihydroquinazolin-2-one?
3-methyl-6-(4-propan-2-ylphenyl)-1,4-dihydroquinazolin-2-one has a molecular weight of 280.37 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(4-propan-2-ylphenyl)-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 155179364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).