3-methyl-2-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylquinazolin-4-one

C23H18N2O3S — CID 38834210

IUPAC3-methyl-2-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylquinazolin-4-one
SMILESCn1c(SCC(=O)c2ccc(Oc3ccccc3)cc2)nc2ccccc2c1=O
InChIInChI=1S/C23H18N2O3S/c1-25-22(27)19-9-5-6-10-20(19)24-23(25)29-15-21(26)16-11-13-18(14-12-16)28-17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeyMWNILGBUGDECME-UHFFFAOYSA-N
MW402.48 g/mol
LogP4.70
Rot. Bonds6

About 3-methyl-2-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylquinazolin-4-one

3-methyl-2-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylquinazolin-4-one (PubChem CID 38834210) has the molecular formula C23H18N2O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is 3-methyl-2-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylquinazolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylquinazolin-4-one
PubChem CID38834210
Molecular FormulaC23H18N2O3S
Molecular Weight402.48 g/mol
Exact Mass402.10
IUPAC Name3-methyl-2-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylquinazolin-4-one
SMILESCn1c(SCC(=O)c2ccc(Oc3ccccc3)cc2)nc2ccccc2c1=O
InChIInChI=1S/C23H18N2O3S/c1-25-22(27)19-9-5-6-10-20(19)24-23(25)29-15-21(26)16-11-13-18(14-12-16)28-17-7-3-2-4-8-17/h2-14H,15H2,1H3
InChIKeyMWNILGBUGDECME-UHFFFAOYSA-N
XLogP4.70
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl-3-ethylquinazolin-4-one
CID 7558965
2-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one
CID 39417248
N-[3-[2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetyl]phenyl]acetamide
CID 39860948
3-methyl-2-(2-methylprop-2-enylsulfanyl)quinazolin-4-one
CID 2980541
2-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one
CID 2624336
N-ethyl-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 3895819
3-[(2S)-butan-2-yl]-2-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 7428188
2-[2-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one
CID 3538467
2-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]sulfanyl-3-methylquinazolin-4-one
CID 27241325
2-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl-3-(3-methoxyphenyl)quinazolin-4-one
CID 16533078
2-(3-methyl-4-oxoquinazolin-2-yl)sulfanyl-N,N-di(propan-2-yl)acetamide
CID 3505299
N-[2-(4-methoxyphenyl)ethyl]-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 35772302

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylquinazolin-4-one?
The IUPAC name of 3-methyl-2-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylquinazolin-4-one (CID 38834210) is 3-methyl-2-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylquinazolin-4-one.
What is the SMILES notation for 3-methyl-2-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylquinazolin-4-one?
The canonical SMILES for 3-methyl-2-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylquinazolin-4-one is Cn1c(SCC(=O)c2ccc(Oc3ccccc3)cc2)nc2ccccc2c1=O.
What is the InChIKey of 3-methyl-2-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylquinazolin-4-one?
The InChIKey is MWNILGBUGDECME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3S/c1-25-22(27)19-9-5-6-10-20(19)24-23(25)29-15-21(26)16-11-13-18(14-12-16)28-17-7-3-2-4-8-17/h2-14H,15H2,1H3.
What are the key properties of 3-methyl-2-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylquinazolin-4-one?
3-methyl-2-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylquinazolin-4-one has a molecular weight of 402.48 g/mol, XLogP of 4.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[2-oxo-2-(4-phenoxyphenyl)ethyl]sulfanylquinazolin-4-one is sourced from PubChem (CID 38834210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).