2-(2,2-dimethylpropylsulfanyl)-3-phenylquinazolin-4-one

C19H20N2OS — CID 122698181

IUPAC2-(2,2-dimethylpropylsulfanyl)-3-phenylquinazolin-4-one
SMILESCC(C)(C)CSc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C19H20N2OS/c1-19(2,3)13-23-18-20-16-12-8-7-11-15(16)17(22)21(18)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3
InChIKeyGMUIDKJUSNEWSL-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.52
Rot. Bonds3

About 2-(2,2-dimethylpropylsulfanyl)-3-phenylquinazolin-4-one

2-(2,2-dimethylpropylsulfanyl)-3-phenylquinazolin-4-one (PubChem CID 122698181) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-(2,2-dimethylpropylsulfanyl)-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-(2,2-dimethylpropylsulfanyl)-3-phenylquinazolin-4-one
PubChem CID122698181
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name2-(2,2-dimethylpropylsulfanyl)-3-phenylquinazolin-4-one
SMILESCC(C)(C)CSc1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C19H20N2OS/c1-19(2,3)13-23-18-20-16-12-8-7-11-15(16)17(22)21(18)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3
InChIKeyGMUIDKJUSNEWSL-UHFFFAOYSA-N
XLogP4.52
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methaqualone
CID 6292
3-(2,4-dimethylphenyl)-2-methylquinazolin-4(3H)-one
CID 63382
4(3H)-Quinazolinone, 2-methyl-3-(2-methylphenyl)-, hydrochloride (1:1)
CID 63196
3-(2-Ethylphenyl)-2-methyl-4(3H)-quinazolinone
CID 23914
3-phenyl-3H-quinazolin-4-one
CID 785275
Arborine
CID 63123
3-(2,6-difluorophenyl)-2-(methylthio)quinazolin-4(3H)-one
CID 25229546
2-((2-piperidin-1-ylethyl)thio)quinazolin-4(3H)-one
CID 135520446
3-Phenyl-2-methylquinazolin-4-one
CID 63378
4(3H)-Quinazolinone, 2-methyl-3-(o-trifluoromethylphenyl)-
CID 63195
4(3H)-Quinazolinone, 2-methyl-3-(2,3-xylyl)-
CID 63118
2-Benzylsulfanyl-3-phenylquinazolin-4-one
CID 806148

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropylsulfanyl)-3-phenylquinazolin-4-one?
The IUPAC name of 2-(2,2-dimethylpropylsulfanyl)-3-phenylquinazolin-4-one (CID 122698181) is 2-(2,2-dimethylpropylsulfanyl)-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-(2,2-dimethylpropylsulfanyl)-3-phenylquinazolin-4-one?
The canonical SMILES for 2-(2,2-dimethylpropylsulfanyl)-3-phenylquinazolin-4-one is CC(C)(C)CSc1nc2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of 2-(2,2-dimethylpropylsulfanyl)-3-phenylquinazolin-4-one?
The InChIKey is GMUIDKJUSNEWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-19(2,3)13-23-18-20-16-12-8-7-11-15(16)17(22)21(18)14-9-5-4-6-10-14/h4-12H,13H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropylsulfanyl)-3-phenylquinazolin-4-one?
2-(2,2-dimethylpropylsulfanyl)-3-phenylquinazolin-4-one has a molecular weight of 324.45 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropylsulfanyl)-3-phenylquinazolin-4-one is sourced from PubChem (CID 122698181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).