ethyl 2-ethylsulfanyl-4-methyl-1,6-naphthyridine-3-carboxylate

C14H16N2O2S — CID 86720181

IUPACethyl 2-ethylsulfanyl-4-methyl-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(SCC)nc2ccncc2c1C
InChIInChI=1S/C14H16N2O2S/c1-4-18-14(17)12-9(3)10-8-15-7-6-11(10)16-13(12)19-5-2/h6-8H,4-5H2,1-3H3
InChIKeyWGOQHTWUPRBLQT-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.23
Rot. Bonds4

About ethyl 2-ethylsulfanyl-4-methyl-1,6-naphthyridine-3-carboxylate

ethyl 2-ethylsulfanyl-4-methyl-1,6-naphthyridine-3-carboxylate (PubChem CID 86720181) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is ethyl 2-ethylsulfanyl-4-methyl-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethylsulfanyl-4-methyl-1,6-naphthyridine-3-carboxylate
PubChem CID86720181
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Nameethyl 2-ethylsulfanyl-4-methyl-1,6-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1c(SCC)nc2ccncc2c1C
InChIInChI=1S/C14H16N2O2S/c1-4-18-14(17)12-9(3)10-8-15-7-6-11(10)16-13(12)19-5-2/h6-8H,4-5H2,1-3H3
InChIKeyWGOQHTWUPRBLQT-UHFFFAOYSA-N
XLogP3.23
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethylsulfanyl-4-methyl-1,6-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 2-ethylsulfanyl-4-methyl-1,6-naphthyridine-3-carboxylate (CID 86720181) is ethyl 2-ethylsulfanyl-4-methyl-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-ethylsulfanyl-4-methyl-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 2-ethylsulfanyl-4-methyl-1,6-naphthyridine-3-carboxylate is CCOC(=O)c1c(SCC)nc2ccncc2c1C.
What is the InChIKey of ethyl 2-ethylsulfanyl-4-methyl-1,6-naphthyridine-3-carboxylate?
The InChIKey is WGOQHTWUPRBLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c1-4-18-14(17)12-9(3)10-8-15-7-6-11(10)16-13(12)19-5-2/h6-8H,4-5H2,1-3H3.
What are the key properties of ethyl 2-ethylsulfanyl-4-methyl-1,6-naphthyridine-3-carboxylate?
ethyl 2-ethylsulfanyl-4-methyl-1,6-naphthyridine-3-carboxylate has a molecular weight of 276.36 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethylsulfanyl-4-methyl-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 86720181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).