8-methoxy-4-[(4-methylsulfanylphenyl)methoxy]-1,7-naphthyridine

C17H16N2O2S — CID 177053181

IUPAC8-methoxy-4-[(4-methylsulfanylphenyl)methoxy]-1,7-naphthyridine
SMILESCOc1nccc2c(OCc3ccc(SC)cc3)ccnc12
InChIInChI=1S/C17H16N2O2S/c1-20-17-16-14(7-9-19-17)15(8-10-18-16)21-11-12-3-5-13(22-2)6-4-12/h3-10H,11H2,1-2H3
InChIKeyVKDBTJDGCHSDDF-UHFFFAOYSA-N
MW312.39 g/mol
LogP3.94
Rot. Bonds5

About 8-methoxy-4-[(4-methylsulfanylphenyl)methoxy]-1,7-naphthyridine

8-methoxy-4-[(4-methylsulfanylphenyl)methoxy]-1,7-naphthyridine (PubChem CID 177053181) has the molecular formula C17H16N2O2S and a molecular weight of 312.39 g/mol. Its IUPAC name is 8-methoxy-4-[(4-methylsulfanylphenyl)methoxy]-1,7-naphthyridine.

Molecular Properties

Compound Name8-methoxy-4-[(4-methylsulfanylphenyl)methoxy]-1,7-naphthyridine
PubChem CID177053181
Molecular FormulaC17H16N2O2S
Molecular Weight312.39 g/mol
Exact Mass312.09
IUPAC Name8-methoxy-4-[(4-methylsulfanylphenyl)methoxy]-1,7-naphthyridine
SMILESCOc1nccc2c(OCc3ccc(SC)cc3)ccnc12
InChIInChI=1S/C17H16N2O2S/c1-20-17-16-14(7-9-19-17)15(8-10-18-16)21-11-12-3-5-13(22-2)6-4-12/h3-10H,11H2,1-2H3
InChIKeyVKDBTJDGCHSDDF-UHFFFAOYSA-N
XLogP3.94
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-4-[(4-methylsulfanylphenyl)methoxy]-1,7-naphthyridine?
The IUPAC name of 8-methoxy-4-[(4-methylsulfanylphenyl)methoxy]-1,7-naphthyridine (CID 177053181) is 8-methoxy-4-[(4-methylsulfanylphenyl)methoxy]-1,7-naphthyridine.
What is the SMILES notation for 8-methoxy-4-[(4-methylsulfanylphenyl)methoxy]-1,7-naphthyridine?
The canonical SMILES for 8-methoxy-4-[(4-methylsulfanylphenyl)methoxy]-1,7-naphthyridine is COc1nccc2c(OCc3ccc(SC)cc3)ccnc12.
What is the InChIKey of 8-methoxy-4-[(4-methylsulfanylphenyl)methoxy]-1,7-naphthyridine?
The InChIKey is VKDBTJDGCHSDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S/c1-20-17-16-14(7-9-19-17)15(8-10-18-16)21-11-12-3-5-13(22-2)6-4-12/h3-10H,11H2,1-2H3.
What are the key properties of 8-methoxy-4-[(4-methylsulfanylphenyl)methoxy]-1,7-naphthyridine?
8-methoxy-4-[(4-methylsulfanylphenyl)methoxy]-1,7-naphthyridine has a molecular weight of 312.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-4-[(4-methylsulfanylphenyl)methoxy]-1,7-naphthyridine is sourced from PubChem (CID 177053181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).