3-(3,5-dimethoxyphenyl)-2-(2-phenylethylsulfanyl)quinazolin-4-one

C24H22N2O3S — CID 51365302

IUPAC3-(3,5-dimethoxyphenyl)-2-(2-phenylethylsulfanyl)quinazolin-4-one
SMILESCOc1cc(OC)cc(-n2c(SCCc3ccccc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C24H22N2O3S/c1-28-19-14-18(15-20(16-19)29-2)26-23(27)21-10-6-7-11-22(21)25-24(26)30-13-12-17-8-4-3-5-9-17/h3-11,14-16H,12-13H2,1-2H3
InChIKeyJDSMHGKYZYMCHX-UHFFFAOYSA-N
MW418.52 g/mol
LogP4.74
Rot. Bonds7

About 3-(3,5-dimethoxyphenyl)-2-(2-phenylethylsulfanyl)quinazolin-4-one

3-(3,5-dimethoxyphenyl)-2-(2-phenylethylsulfanyl)quinazolin-4-one (PubChem CID 51365302) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-2-(2-phenylethylsulfanyl)quinazolin-4-one.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-2-(2-phenylethylsulfanyl)quinazolin-4-one
PubChem CID51365302
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC Name3-(3,5-dimethoxyphenyl)-2-(2-phenylethylsulfanyl)quinazolin-4-one
SMILESCOc1cc(OC)cc(-n2c(SCCc3ccccc3)nc3ccccc3c2=O)c1
InChIInChI=1S/C24H22N2O3S/c1-28-19-14-18(15-20(16-19)29-2)26-23(27)21-10-6-7-11-22(21)25-24(26)30-13-12-17-8-4-3-5-9-17/h3-11,14-16H,12-13H2,1-2H3
InChIKeyJDSMHGKYZYMCHX-UHFFFAOYSA-N
XLogP4.74
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,5-dimethoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 51365311
3-(3-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 8921562
3-[(4-methoxyphenyl)methyl]-2-(2-phenylethylsulfanyl)quinazolin-4-one
CID 51365408
2-ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one
CID 714917
3-(4-ethoxyphenyl)-2-(3-phenylpropylsulfanyl)quinazolin-4-one
CID 7857006
2-[2-(4-methoxyphenyl)ethylsulfanyl]-3-prop-2-enylquinazolin-4-one
CID 2662516
2-benzylsulfanyl-3-(3,5-dimethylphenyl)quinazolin-4-one
CID 2385702
2-[2-(3-bromophenoxy)ethylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 3880310
2-[2-(3-chlorophenoxy)ethylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 16533049
N,N-dibenzyl-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2365711
3-(4-methoxyphenyl)-2-methylsulfanylquinazolin-4-one
CID 659793
3-(4-methoxyphenyl)-2-[(4-propan-2-ylphenyl)methylsulfanyl]quinazolin-4-one
CID 7253272

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-2-(2-phenylethylsulfanyl)quinazolin-4-one?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-2-(2-phenylethylsulfanyl)quinazolin-4-one (CID 51365302) is 3-(3,5-dimethoxyphenyl)-2-(2-phenylethylsulfanyl)quinazolin-4-one.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-2-(2-phenylethylsulfanyl)quinazolin-4-one?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-2-(2-phenylethylsulfanyl)quinazolin-4-one is COc1cc(OC)cc(-n2c(SCCc3ccccc3)nc3ccccc3c2=O)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-2-(2-phenylethylsulfanyl)quinazolin-4-one?
The InChIKey is JDSMHGKYZYMCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c1-28-19-14-18(15-20(16-19)29-2)26-23(27)21-10-6-7-11-22(21)25-24(26)30-13-12-17-8-4-3-5-9-17/h3-11,14-16H,12-13H2,1-2H3.
What are the key properties of 3-(3,5-dimethoxyphenyl)-2-(2-phenylethylsulfanyl)quinazolin-4-one?
3-(3,5-dimethoxyphenyl)-2-(2-phenylethylsulfanyl)quinazolin-4-one has a molecular weight of 418.52 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-2-(2-phenylethylsulfanyl)quinazolin-4-one is sourced from PubChem (CID 51365302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).