7-methoxy-4-[(4-methylsulfanylfuran-2-yl)methoxy]quinoline

C16H15NO3S — CID 157041157

IUPAC7-methoxy-4-[(4-methylsulfanylfuran-2-yl)methoxy]quinoline
SMILESCOc1ccc2c(OCc3cc(SC)co3)ccnc2c1
InChIInChI=1S/C16H15NO3S/c1-18-11-3-4-14-15(8-11)17-6-5-16(14)20-9-12-7-13(21-2)10-19-12/h3-8,10H,9H2,1-2H3
InChIKeyPPDHTRNXVSQYGR-UHFFFAOYSA-N
MW301.37 g/mol
LogP4.14
Rot. Bonds5

About 7-methoxy-4-[(4-methylsulfanylfuran-2-yl)methoxy]quinoline

7-methoxy-4-[(4-methylsulfanylfuran-2-yl)methoxy]quinoline (PubChem CID 157041157) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 7-methoxy-4-[(4-methylsulfanylfuran-2-yl)methoxy]quinoline.

Molecular Properties

Compound Name7-methoxy-4-[(4-methylsulfanylfuran-2-yl)methoxy]quinoline
PubChem CID157041157
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name7-methoxy-4-[(4-methylsulfanylfuran-2-yl)methoxy]quinoline
SMILESCOc1ccc2c(OCc3cc(SC)co3)ccnc2c1
InChIInChI=1S/C16H15NO3S/c1-18-11-3-4-14-15(8-11)17-6-5-16(14)20-9-12-7-13(21-2)10-19-12/h3-8,10H,9H2,1-2H3
InChIKeyPPDHTRNXVSQYGR-UHFFFAOYSA-N
XLogP4.14
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4,7-dimethoxyquinoline
CID 20743716
7-methoxy-4-[(4-methylsulfinylphenyl)methoxy]quinoline
CID 157040683
N-(furan-2-ylmethyl)-2-(7-methoxyquinolin-4-yl)oxyacetamide
CID 56795574
imino-[3-[(7-methoxyquinolin-4-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane
CID 166561868
[3-bromo-4-[(7-methoxyquinolin-4-yl)oxymethyl]phenyl]-imino-methyl-oxo-λ6-sulfane
CID 157040867
7-methoxy-4-pyridin-3-yloxyquinoline
CID 154308048
7-ethyl-6-methoxy-4-[(4-methylsulfanylphenyl)methoxy]quinoline
CID 177345971
7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
CID 24864821
4-[(6-ethynyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methoxy]-7-methoxyquinoline
CID 86630263
4-[[6-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline
CID 24864824
N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine
CID 118717457
7-methoxy-4-[[6-(5-methylthiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline
CID 25065754

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[(4-methylsulfanylfuran-2-yl)methoxy]quinoline?
The IUPAC name of 7-methoxy-4-[(4-methylsulfanylfuran-2-yl)methoxy]quinoline (CID 157041157) is 7-methoxy-4-[(4-methylsulfanylfuran-2-yl)methoxy]quinoline.
What is the SMILES notation for 7-methoxy-4-[(4-methylsulfanylfuran-2-yl)methoxy]quinoline?
The canonical SMILES for 7-methoxy-4-[(4-methylsulfanylfuran-2-yl)methoxy]quinoline is COc1ccc2c(OCc3cc(SC)co3)ccnc2c1.
What is the InChIKey of 7-methoxy-4-[(4-methylsulfanylfuran-2-yl)methoxy]quinoline?
The InChIKey is PPDHTRNXVSQYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-18-11-3-4-14-15(8-11)17-6-5-16(14)20-9-12-7-13(21-2)10-19-12/h3-8,10H,9H2,1-2H3.
What are the key properties of 7-methoxy-4-[(4-methylsulfanylfuran-2-yl)methoxy]quinoline?
7-methoxy-4-[(4-methylsulfanylfuran-2-yl)methoxy]quinoline has a molecular weight of 301.37 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[(4-methylsulfanylfuran-2-yl)methoxy]quinoline is sourced from PubChem (CID 157041157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).