2-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C17H20N2O — CID 135969124

IUPAC2-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCC(C)(c1ccccc1)c1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C17H20N2O/c1-17(2,12-8-4-3-5-9-12)16-18-14-11-7-6-10-13(14)15(20)19-16/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,18,19,20)
InChIKeyBXYOPBSXNNNZKU-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.97
Rot. Bonds2

About 2-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 135969124) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID135969124
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name2-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCC(C)(c1ccccc1)c1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C17H20N2O/c1-17(2,12-8-4-3-5-9-12)16-18-14-11-7-6-10-13(14)15(20)19-16/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,18,19,20)
InChIKeyBXYOPBSXNNNZKU-UHFFFAOYSA-N
XLogP2.97
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-methoxybutan-2-yl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 136963754
6-[2-(3,5-difluorophenyl)-2-hydroxyacetyl]-2-(2-phenylpropan-2-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 157027889
2-[(4-tert-butylphenyl)methylsulfanyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135546853
2-methyl-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 135975246
2-(3,4-dihydro-1H-isoquinolin-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135465153
2-(2-hydroxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611951
2-methoxy-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135995422
2-(2-phenylpropan-2-yl)-5,6-dihydro-4H-1,3-benzothiazol-7-one
CID 55182286
2-(2-phenoxyethylsulfanyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135617877
2-(4-phenoxyanilino)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136779052
2-[(4-chlorophenyl)methylamino]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135611942
2-[(2-chlorophenyl)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 135850609

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 135969124) is 2-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is CC(C)(c1ccccc1)c1nc2c(c(=O)[nH]1)CCCC2.
What is the InChIKey of 2-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is BXYOPBSXNNNZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-17(2,12-8-4-3-5-9-12)16-18-14-11-7-6-10-13(14)15(20)19-16/h3-5,8-9H,6-7,10-11H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 268.36 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylpropan-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 135969124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).