ethyl 2-[6-(2-methoxy-4-pyridinyl)quinolin-4-yl]sulfanyl-2-methylpropanoate

C21H22N2O3S — CID 129232811

IUPACethyl 2-[6-(2-methoxy-4-pyridinyl)quinolin-4-yl]sulfanyl-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Sc1ccnc2ccc(-c3ccnc(OC)c3)cc12
InChIInChI=1S/C21H22N2O3S/c1-5-26-20(24)21(2,3)27-18-9-11-22-17-7-6-14(12-16(17)18)15-8-10-23-19(13-15)25-4/h6-13H,5H2,1-4H3
InChIKeyPIEPJJDUIQEPAW-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.74
Rot. Bonds6

About ethyl 2-[6-(2-methoxy-4-pyridinyl)quinolin-4-yl]sulfanyl-2-methylpropanoate

ethyl 2-[6-(2-methoxy-4-pyridinyl)quinolin-4-yl]sulfanyl-2-methylpropanoate (PubChem CID 129232811) has the molecular formula C21H22N2O3S and a molecular weight of 382.49 g/mol. Its IUPAC name is ethyl 2-[6-(2-methoxy-4-pyridinyl)quinolin-4-yl]sulfanyl-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 2-[6-(2-methoxy-4-pyridinyl)quinolin-4-yl]sulfanyl-2-methylpropanoate
PubChem CID129232811
Molecular FormulaC21H22N2O3S
Molecular Weight382.49 g/mol
Exact Mass382.14
IUPAC Nameethyl 2-[6-(2-methoxy-4-pyridinyl)quinolin-4-yl]sulfanyl-2-methylpropanoate
SMILESCCOC(=O)C(C)(C)Sc1ccnc2ccc(-c3ccnc(OC)c3)cc12
InChIInChI=1S/C21H22N2O3S/c1-5-26-20(24)21(2,3)27-18-9-11-22-17-7-6-14(12-16(17)18)15-8-10-23-19(13-15)25-4/h6-13H,5H2,1-4H3
InChIKeyPIEPJJDUIQEPAW-UHFFFAOYSA-N
XLogP4.74
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(2-methoxy-4-pyridinyl)quinolin-4-yl]sulfanyl-2-methylpropanoate?
The IUPAC name of ethyl 2-[6-(2-methoxy-4-pyridinyl)quinolin-4-yl]sulfanyl-2-methylpropanoate (CID 129232811) is ethyl 2-[6-(2-methoxy-4-pyridinyl)quinolin-4-yl]sulfanyl-2-methylpropanoate.
What is the SMILES notation for ethyl 2-[6-(2-methoxy-4-pyridinyl)quinolin-4-yl]sulfanyl-2-methylpropanoate?
The canonical SMILES for ethyl 2-[6-(2-methoxy-4-pyridinyl)quinolin-4-yl]sulfanyl-2-methylpropanoate is CCOC(=O)C(C)(C)Sc1ccnc2ccc(-c3ccnc(OC)c3)cc12.
What is the InChIKey of ethyl 2-[6-(2-methoxy-4-pyridinyl)quinolin-4-yl]sulfanyl-2-methylpropanoate?
The InChIKey is PIEPJJDUIQEPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S/c1-5-26-20(24)21(2,3)27-18-9-11-22-17-7-6-14(12-16(17)18)15-8-10-23-19(13-15)25-4/h6-13H,5H2,1-4H3.
What are the key properties of ethyl 2-[6-(2-methoxy-4-pyridinyl)quinolin-4-yl]sulfanyl-2-methylpropanoate?
ethyl 2-[6-(2-methoxy-4-pyridinyl)quinolin-4-yl]sulfanyl-2-methylpropanoate has a molecular weight of 382.49 g/mol, XLogP of 4.74, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(2-methoxy-4-pyridinyl)quinolin-4-yl]sulfanyl-2-methylpropanoate is sourced from PubChem (CID 129232811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).