2-ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one

C17H16N2O2S — CID 714917

IUPAC2-ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one
SMILESCCSc1nc2ccccc2c(=O)n1-c1cccc(OC)c1
InChIInChI=1S/C17H16N2O2S/c1-3-22-17-18-15-10-5-4-9-14(15)16(20)19(17)12-7-6-8-13(11-12)21-2/h4-11H,3H2,1-2H3
InChIKeyJBUQNODYIZMFIO-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.51
Rot. Bonds4

About 2-ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one

2-ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one (PubChem CID 714917) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 2-ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one
PubChem CID714917
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name2-ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one
SMILESCCSc1nc2ccccc2c(=O)n1-c1cccc(OC)c1
InChIInChI=1S/C17H16N2O2S/c1-3-22-17-18-15-10-5-4-9-14(15)16(20)19(17)12-7-6-8-13(11-12)21-2/h4-11H,3H2,1-2H3
InChIKeyJBUQNODYIZMFIO-UHFFFAOYSA-N
XLogP3.51
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 8921562
2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N,N-dimethylacetamide
CID 8017664
2-[2-(3-chlorophenoxy)ethylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 16533049
N-ethyl-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-naphthalen-1-ylacetamide
CID 2373680
3-(3,5-dimethoxyphenyl)-2-[(3-methoxyphenyl)methylsulfanyl]quinazolin-4-one
CID 51365311
2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 30924867
2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 51365639
2-[2-(4-ethoxyphenyl)-2-oxoethyl]sulfanyl-3-(3-methoxyphenyl)quinazolin-4-one
CID 16533078
N,N-dibenzyl-2-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2365711
2-[[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzonitrile
CID 3926131
2-[2-(3-bromophenoxy)ethylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 3880310
2-[2-(2-fluorophenoxy)ethylsulfanyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 3935912

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 2-ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one (CID 714917) is 2-ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 2-ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 2-ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one is CCSc1nc2ccccc2c(=O)n1-c1cccc(OC)c1.
What is the InChIKey of 2-ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one?
The InChIKey is JBUQNODYIZMFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-3-22-17-18-15-10-5-4-9-14(15)16(20)19(17)12-7-6-8-13(11-12)21-2/h4-11H,3H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one?
2-ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one has a molecular weight of 312.39 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-3-(3-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 714917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).