ethyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate

C15H17NO3S — CID 864463

IUPACethyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate
SMILESCCOC(=O)CSc1cc(C)nc2ccc(OC)cc12
InChIInChI=1S/C15H17NO3S/c1-4-19-15(17)9-20-14-7-10(2)16-13-6-5-11(18-3)8-12(13)14/h5-8H,4,9H2,1-3H3
InChIKeyUPNLMPWUPAXRIF-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.21
Rot. Bonds5

About ethyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate

ethyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate (PubChem CID 864463) has the molecular formula C15H17NO3S and a molecular weight of 291.37 g/mol. Its IUPAC name is ethyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate.

Molecular Properties

Compound Nameethyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate
PubChem CID864463
Molecular FormulaC15H17NO3S
Molecular Weight291.37 g/mol
Exact Mass291.09
IUPAC Nameethyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate
SMILESCCOC(=O)CSc1cc(C)nc2ccc(OC)cc12
InChIInChI=1S/C15H17NO3S/c1-4-19-15(17)9-20-14-7-10(2)16-13-6-5-11(18-3)8-12(13)14/h5-8H,4,9H2,1-3H3
InChIKeyUPNLMPWUPAXRIF-UHFFFAOYSA-N
XLogP3.21
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate?
The IUPAC name of ethyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate (CID 864463) is ethyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate.
What is the SMILES notation for ethyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate?
The canonical SMILES for ethyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate is CCOC(=O)CSc1cc(C)nc2ccc(OC)cc12.
What is the InChIKey of ethyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate?
The InChIKey is UPNLMPWUPAXRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3S/c1-4-19-15(17)9-20-14-7-10(2)16-13-6-5-11(18-3)8-12(13)14/h5-8H,4,9H2,1-3H3.
What are the key properties of ethyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate?
ethyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate has a molecular weight of 291.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate is sourced from PubChem (CID 864463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).