ethyl 2-(2-benzylquinazolin-4-yl)sulfanylacetate

C19H18N2O2S — CID 1442565

IUPACethyl 2-(2-benzylquinazolin-4-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nc(Cc2ccccc2)nc2ccccc12
InChIInChI=1S/C19H18N2O2S/c1-2-23-18(22)13-24-19-15-10-6-7-11-16(15)20-17(21-19)12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3
InChIKeyYRAOHSZYMMTKQT-UHFFFAOYSA-N
MW338.43 g/mol
LogP3.88
Rot. Bonds6

About ethyl 2-(2-benzylquinazolin-4-yl)sulfanylacetate

ethyl 2-(2-benzylquinazolin-4-yl)sulfanylacetate (PubChem CID 1442565) has the molecular formula C19H18N2O2S and a molecular weight of 338.43 g/mol. Its IUPAC name is ethyl 2-(2-benzylquinazolin-4-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(2-benzylquinazolin-4-yl)sulfanylacetate
PubChem CID1442565
Molecular FormulaC19H18N2O2S
Molecular Weight338.43 g/mol
Exact Mass338.11
IUPAC Nameethyl 2-(2-benzylquinazolin-4-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nc(Cc2ccccc2)nc2ccccc12
InChIInChI=1S/C19H18N2O2S/c1-2-23-18(22)13-24-19-15-10-6-7-11-16(15)20-17(21-19)12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3
InChIKeyYRAOHSZYMMTKQT-UHFFFAOYSA-N
XLogP3.88
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-Fluoro-2-phenylquinazolin-4-yl)sulfanylethanol
CID 3167738
2-(2-Cyclopropyl-quinazolin-4-ylsulfanyl)-N-m-tolyl-acetamide
CID 856981
2-(2-Cyclopropyl-quinazolin-4-ylsulfanyl)-1-(4-methyl-piperidin-1-yl)-ethanone
CID 856987
2-(2-Cyclopropylquinazolin-4-yl)sulfanyl-1-piperidin-1-ylethanone
CID 1435085
Isopropyl 2-[(2-benzylquinazolin-4-YL)sulfanyl]acetate
CID 1442567
N-Cyclopentyl-2-(2-propyl-quinazolin-4-ylsulfanyl)-acetamide
CID 1442575
1-(4-Fluorophenyl)-2-[(2-isopropylquinazolin-4-YL)sulfanyl]ethanone
CID 1442866
N-cyclohexyl-N-methyl-2-quinazolin-4-ylsulfanylacetamide
CID 2379159
(2-Phenyl-quinazolin-4-ylsulfanyl)-acetonitrile
CID 3141919
N-Butyl-2-[(2-propylquinazolin-4-YL)sulfanyl]acetamide
CID 3221482
2-[2-(1-Adamantyl)quinazolin-4-yl]sulfanylacetamide
CID 3221498
3-(2-Methylquinazolin-4-yl)sulfanylpropanoic acid
CID 588806

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-benzylquinazolin-4-yl)sulfanylacetate?
The IUPAC name of ethyl 2-(2-benzylquinazolin-4-yl)sulfanylacetate (CID 1442565) is ethyl 2-(2-benzylquinazolin-4-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(2-benzylquinazolin-4-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-(2-benzylquinazolin-4-yl)sulfanylacetate is CCOC(=O)CSc1nc(Cc2ccccc2)nc2ccccc12.
What is the InChIKey of ethyl 2-(2-benzylquinazolin-4-yl)sulfanylacetate?
The InChIKey is YRAOHSZYMMTKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2S/c1-2-23-18(22)13-24-19-15-10-6-7-11-16(15)20-17(21-19)12-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3.
What are the key properties of ethyl 2-(2-benzylquinazolin-4-yl)sulfanylacetate?
ethyl 2-(2-benzylquinazolin-4-yl)sulfanylacetate has a molecular weight of 338.43 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-benzylquinazolin-4-yl)sulfanylacetate is sourced from PubChem (CID 1442565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).