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

C14H15NO3S — CID 864464

IUPACmethyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate
SMILESCOC(=O)CSc1cc(C)nc2ccc(OC)cc12
InChIInChI=1S/C14H15NO3S/c1-9-6-13(19-8-14(16)18-3)11-7-10(17-2)4-5-12(11)15-9/h4-7H,8H2,1-3H3
InChIKeyAWVIKXCYKGZSHM-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.82
Rot. Bonds4

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

methyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate (PubChem CID 864464) has the molecular formula C14H15NO3S and a molecular weight of 277.35 g/mol. Its IUPAC name is methyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate.

Molecular Properties

Compound Namemethyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate
PubChem CID864464
Molecular FormulaC14H15NO3S
Molecular Weight277.35 g/mol
Exact Mass277.08
IUPAC Namemethyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate
SMILESCOC(=O)CSc1cc(C)nc2ccc(OC)cc12
InChIInChI=1S/C14H15NO3S/c1-9-6-13(19-8-14(16)18-3)11-7-10(17-2)4-5-12(11)15-9/h4-7H,8H2,1-3H3
InChIKeyAWVIKXCYKGZSHM-UHFFFAOYSA-N
XLogP2.82
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate?
The IUPAC name of methyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate (CID 864464) is methyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate.
What is the SMILES notation for methyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate?
The canonical SMILES for methyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate is COC(=O)CSc1cc(C)nc2ccc(OC)cc12.
What is the InChIKey of methyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate?
The InChIKey is AWVIKXCYKGZSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3S/c1-9-6-13(19-8-14(16)18-3)11-7-10(17-2)4-5-12(11)15-9/h4-7H,8H2,1-3H3.
What are the key properties of methyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate?
methyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate has a molecular weight of 277.35 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-methoxy-2-methylquinolin-4-yl)sulfanylacetate is sourced from PubChem (CID 864464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).