2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one

C31H26N2O2S — CID 23960255

IUPAC2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one
SMILESCC(C)c1ccccc1-n1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nc2ccccc2c1=O
InChIInChI=1S/C31H26N2O2S/c1-21(2)25-12-7-9-15-28(25)33-30(35)26-13-6-8-14-27(26)32-31(33)36-20-29(34)24-18-16-23(17-19-24)22-10-4-3-5-11-22/h3-19,21H,20H2,1-2H3
InChIKeyJSVQCEPZNGRKJQ-UHFFFAOYSA-N
MW490.63 g/mol
LogP7.15
Rot. Bonds7

About 2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one

2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one (PubChem CID 23960255) has the molecular formula C31H26N2O2S and a molecular weight of 490.63 g/mol. Its IUPAC name is 2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one
PubChem CID23960255
Molecular FormulaC31H26N2O2S
Molecular Weight490.63 g/mol
Exact Mass490.17
IUPAC Name2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one
SMILESCC(C)c1ccccc1-n1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nc2ccccc2c1=O
InChIInChI=1S/C31H26N2O2S/c1-21(2)25-12-7-9-15-28(25)33-30(35)26-13-6-8-14-27(26)32-31(33)36-20-29(34)24-18-16-23(17-19-24)22-10-4-3-5-11-22/h3-19,21H,20H2,1-2H3
InChIKeyJSVQCEPZNGRKJQ-UHFFFAOYSA-N
XLogP7.15
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.63
LogP ≤ 57.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one with MolForge

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Related Compounds

2-[2-(4-cyclohexylphenyl)-2-oxoethyl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one
CID 4534910
2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N,N-di(propan-2-yl)acetamide
CID 3908699
2-(3-oxobutylsulfanyl)-3-(2-propan-2-ylphenyl)quinazolin-4-one
CID 7503627
tert-butyl 2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetate
CID 7840085
2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-prop-2-enylacetamide
CID 2600171
4-[[2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetyl]amino]benzamide
CID 16533660
3-(2,4-difluorophenyl)-2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanylquinazolin-4-one
CID 2414993
2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-2-phenylacetamide
CID 46690378
N-[(2R)-1-methoxypropan-2-yl]-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 7840089
N-[(1R)-1-cyclopropylethyl]-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 8578255
N-(2-methoxyethyl)-2-[4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide
CID 2563558
2-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-3-(4-propan-2-ylphenyl)quinazolin-4-one
CID 2360521

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one?
The IUPAC name of 2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one (CID 23960255) is 2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one?
The canonical SMILES for 2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one is CC(C)c1ccccc1-n1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nc2ccccc2c1=O.
What is the InChIKey of 2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one?
The InChIKey is JSVQCEPZNGRKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O2S/c1-21(2)25-12-7-9-15-28(25)33-30(35)26-13-6-8-14-27(26)32-31(33)36-20-29(34)24-18-16-23(17-19-24)22-10-4-3-5-11-22/h3-19,21H,20H2,1-2H3.
What are the key properties of 2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one?
2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one has a molecular weight of 490.63 g/mol, XLogP of 7.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-3-(2-propan-2-ylphenyl)quinazolin-4-one is sourced from PubChem (CID 23960255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).