2-(2-phenoxyethylsulfanyl)-3-phenylquinazolin-4-one

C22H18N2O2S — CID 3967996

IUPAC2-(2-phenoxyethylsulfanyl)-3-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(SCCOc2ccccc2)n1-c1ccccc1
InChIInChI=1S/C22H18N2O2S/c25-21-19-13-7-8-14-20(19)23-22(24(21)17-9-3-1-4-10-17)27-16-15-26-18-11-5-2-6-12-18/h1-14H,15-16H2
InChIKeyXGIOMLOKRURETM-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.56
Rot. Bonds6

About 2-(2-phenoxyethylsulfanyl)-3-phenylquinazolin-4-one

2-(2-phenoxyethylsulfanyl)-3-phenylquinazolin-4-one (PubChem CID 3967996) has the molecular formula C22H18N2O2S and a molecular weight of 374.47 g/mol. Its IUPAC name is 2-(2-phenoxyethylsulfanyl)-3-phenylquinazolin-4-one.

Molecular Properties

Compound Name2-(2-phenoxyethylsulfanyl)-3-phenylquinazolin-4-one
PubChem CID3967996
Molecular FormulaC22H18N2O2S
Molecular Weight374.47 g/mol
Exact Mass374.11
IUPAC Name2-(2-phenoxyethylsulfanyl)-3-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(SCCOc2ccccc2)n1-c1ccccc1
InChIInChI=1S/C22H18N2O2S/c25-21-19-13-7-8-14-20(19)23-22(24(21)17-9-3-1-4-10-17)27-16-15-26-18-11-5-2-6-12-18/h1-14H,15-16H2
InChIKeyXGIOMLOKRURETM-UHFFFAOYSA-N
XLogP4.56
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-chlorophenoxy)ethylsulfanyl]-3-(4-ethoxyphenyl)quinazolin-4-one
CID 4566776
2-[2-(3-chlorophenoxy)ethylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 16533049
2-[2-(3-bromophenoxy)ethylsulfanyl]-3-(4-fluorophenyl)quinazolin-4-one
CID 3521435
2-[2-(3-bromophenoxy)ethylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 3880310
2-[2-(2-methylphenoxy)ethylsulfanyl]-3-(4-methylphenyl)quinazolin-4-one
CID 16532214
3-(3,4-dimethoxyphenyl)-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]quinazolin-4-one
CID 3462094
2-[2-(2-fluorophenoxy)ethylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 3935912
3-(2-methoxyethyl)-2-(2-phenoxyethylsulfanyl)quinazolin-4-one
CID 2082259
2-[2-(2,4-dichlorophenoxy)ethylsulfanyl]-3-(4-ethoxyphenyl)quinazolin-4-one
CID 3957452
3-(4-ethoxyphenyl)-2-(3-phenylpropylsulfanyl)quinazolin-4-one
CID 7857006
3-(2,4-dimethylphenyl)-2-(3-phenoxypropylsulfanyl)quinazolin-4-one
CID 7604881
3-phenyl-2-(2-piperidin-1-ylethylsulfanyl)quinazolin-4-one;hydrochloride
CID 52997902

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenoxyethylsulfanyl)-3-phenylquinazolin-4-one?
The IUPAC name of 2-(2-phenoxyethylsulfanyl)-3-phenylquinazolin-4-one (CID 3967996) is 2-(2-phenoxyethylsulfanyl)-3-phenylquinazolin-4-one.
What is the SMILES notation for 2-(2-phenoxyethylsulfanyl)-3-phenylquinazolin-4-one?
The canonical SMILES for 2-(2-phenoxyethylsulfanyl)-3-phenylquinazolin-4-one is O=c1c2ccccc2nc(SCCOc2ccccc2)n1-c1ccccc1.
What is the InChIKey of 2-(2-phenoxyethylsulfanyl)-3-phenylquinazolin-4-one?
The InChIKey is XGIOMLOKRURETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2S/c25-21-19-13-7-8-14-20(19)23-22(24(21)17-9-3-1-4-10-17)27-16-15-26-18-11-5-2-6-12-18/h1-14H,15-16H2.
What are the key properties of 2-(2-phenoxyethylsulfanyl)-3-phenylquinazolin-4-one?
2-(2-phenoxyethylsulfanyl)-3-phenylquinazolin-4-one has a molecular weight of 374.47 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenoxyethylsulfanyl)-3-phenylquinazolin-4-one is sourced from PubChem (CID 3967996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).