7-methoxy-4-[(4-methylsulfinylphenyl)methoxy]quinoline

C18H17NO3S — CID 157040683

IUPAC7-methoxy-4-[(4-methylsulfinylphenyl)methoxy]quinoline
SMILESCOc1ccc2c(OCc3ccc(S(C)=O)cc3)ccnc2c1
InChIInChI=1S/C18H17NO3S/c1-21-14-5-8-16-17(11-14)19-10-9-18(16)22-12-13-3-6-15(7-4-13)23(2)20/h3-11H,12H2,1-2H3
InChIKeyIRNLFMLRFKLUGD-UHFFFAOYSA-N
MW327.41 g/mol
LogP3.56
Rot. Bonds5

About 7-methoxy-4-[(4-methylsulfinylphenyl)methoxy]quinoline

7-methoxy-4-[(4-methylsulfinylphenyl)methoxy]quinoline (PubChem CID 157040683) has the molecular formula C18H17NO3S and a molecular weight of 327.41 g/mol. Its IUPAC name is 7-methoxy-4-[(4-methylsulfinylphenyl)methoxy]quinoline.

Molecular Properties

Compound Name7-methoxy-4-[(4-methylsulfinylphenyl)methoxy]quinoline
PubChem CID157040683
Molecular FormulaC18H17NO3S
Molecular Weight327.41 g/mol
Exact Mass327.09
IUPAC Name7-methoxy-4-[(4-methylsulfinylphenyl)methoxy]quinoline
SMILESCOc1ccc2c(OCc3ccc(S(C)=O)cc3)ccnc2c1
InChIInChI=1S/C18H17NO3S/c1-21-14-5-8-16-17(11-14)19-10-9-18(16)22-12-13-3-6-15(7-4-13)23(2)20/h3-11H,12H2,1-2H3
InChIKeyIRNLFMLRFKLUGD-UHFFFAOYSA-N
XLogP3.56
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,7-dimethoxyquinoline
CID 20743716
imino-[3-[(7-methoxyquinolin-4-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane
CID 166561868
2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 18456647
4-[[(7-methoxyquinolin-4-yl)amino]methyl]-N-methylbenzenesulfinamide
CID 166845406
[3-bromo-4-[(7-methoxyquinolin-4-yl)oxymethyl]phenyl]-imino-methyl-oxo-λ6-sulfane
CID 157040867
7-methoxy-4-[(4-methylsulfanylfuran-2-yl)methoxy]quinoline
CID 157041157
[4-(7-methoxyquinolin-4-yl)phenyl]methyl carbamate
CID 175036962
1-methoxy-4-(113C)methylsulfinylbenzene
CID 58500277
7-methoxy-4-pyridin-3-yloxyquinoline
CID 154308048
7-methoxy-4-[[5-(sulfinoamino)-2-pyridinyl]oxy]quinoline
CID 155100012
7-ethyl-6-methoxy-4-[(4-methylsulfanylphenyl)methoxy]quinoline
CID 177345971
[4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]phenyl]methanol
CID 123817520

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[(4-methylsulfinylphenyl)methoxy]quinoline?
The IUPAC name of 7-methoxy-4-[(4-methylsulfinylphenyl)methoxy]quinoline (CID 157040683) is 7-methoxy-4-[(4-methylsulfinylphenyl)methoxy]quinoline.
What is the SMILES notation for 7-methoxy-4-[(4-methylsulfinylphenyl)methoxy]quinoline?
The canonical SMILES for 7-methoxy-4-[(4-methylsulfinylphenyl)methoxy]quinoline is COc1ccc2c(OCc3ccc(S(C)=O)cc3)ccnc2c1.
What is the InChIKey of 7-methoxy-4-[(4-methylsulfinylphenyl)methoxy]quinoline?
The InChIKey is IRNLFMLRFKLUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3S/c1-21-14-5-8-16-17(11-14)19-10-9-18(16)22-12-13-3-6-15(7-4-13)23(2)20/h3-11H,12H2,1-2H3.
What are the key properties of 7-methoxy-4-[(4-methylsulfinylphenyl)methoxy]quinoline?
7-methoxy-4-[(4-methylsulfinylphenyl)methoxy]quinoline has a molecular weight of 327.41 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[(4-methylsulfinylphenyl)methoxy]quinoline is sourced from PubChem (CID 157040683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).