ethyl 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanylacetate

C18H15ClN2O2S — CID 1346311

IUPACethyl 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C18H15ClN2O2S/c1-2-23-16(22)11-24-18-20-15-9-8-13(19)10-14(15)17(21-18)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChIKeyGIUKYANYQISJEY-UHFFFAOYSA-N
MW358.85 g/mol
LogP4.61
Rot. Bonds5

About ethyl 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanylacetate

ethyl 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanylacetate (PubChem CID 1346311) has the molecular formula C18H15ClN2O2S and a molecular weight of 358.85 g/mol. Its IUPAC name is ethyl 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanylacetate
PubChem CID1346311
Molecular FormulaC18H15ClN2O2S
Molecular Weight358.85 g/mol
Exact Mass358.05
IUPAC Nameethyl 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanylacetate
SMILESCCOC(=O)CSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C18H15ClN2O2S/c1-2-23-16(22)11-24-18-20-15-9-8-13(19)10-14(15)17(21-18)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChIKeyGIUKYANYQISJEY-UHFFFAOYSA-N
XLogP4.61
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-Chloro-2-(methylthio)-4-phenylquinazoline
CID 700615
2-(6-Chloro-4-phenylquinazolin-2-yl)sulfanylacetonitrile
CID 2017190
6-Chloro-2-methoxy-4-phenylquinazoline
CID 742338
Isopropyl 2-[(2-benzylquinazolin-4-YL)sulfanyl]acetate
CID 1442567
6-Chloro-4-phenyl-2-(prop-2-enylthio)quinazoline
CID 1925990
Methyl 2-((2-phenylquinazolin-4-yl)thio)acetate
CID 865071
(6-Fluoro-2-phenyl-quinazolin-4-ylsulfanyl)-acetic acid ethyl ester
CID 865078
Ethyl 2-[(2-benzylquinazolin-4-YL)sulfanyl]acetate
CID 1442565
Ethyl 3-[(4,6-dimethylquinazolin-2-yl)sulfanyl]propanoate
CID 4140223
3-[(6-Chloro-4-phenylquinazolin-2-yl)sulfanyl]-1-(2,4-dimethylphenyl)pyrrolidine-2,5-dione
CID 5113004
Ethyl 2-(4,8-dimethylquinazolin-2-yl)sulfanylacetate
CID 916352
Methyl 2-(2-benzylquinazolin-4-yl)sulfanylacetate
CID 1442564

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanylacetate?
The IUPAC name of ethyl 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanylacetate (CID 1346311) is ethyl 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanylacetate is CCOC(=O)CSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1.
What is the InChIKey of ethyl 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanylacetate?
The InChIKey is GIUKYANYQISJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2S/c1-2-23-16(22)11-24-18-20-15-9-8-13(19)10-14(15)17(21-18)12-6-4-3-5-7-12/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanylacetate?
ethyl 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanylacetate has a molecular weight of 358.85 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-chloro-4-phenylquinazolin-2-yl)sulfanylacetate is sourced from PubChem (CID 1346311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).