7-methoxy-4-[6-(methylsulfanylmethyl)-2-azaspiro[3.3]heptan-2-yl]quinoline

C18H22N2OS — CID 177346031

IUPAC7-methoxy-4-[6-(methylsulfanylmethyl)-2-azaspiro[3.3]heptan-2-yl]quinoline
SMILESCOc1ccc2c(N3CC4(CC(CSC)C4)C3)ccnc2c1
InChIInChI=1S/C18H22N2OS/c1-21-14-3-4-15-16(7-14)19-6-5-17(15)20-11-18(12-20)8-13(9-18)10-22-2/h3-7,13H,8-12H2,1-2H3
InChIKeyWNZNLTIOCGFSBR-UHFFFAOYSA-N
MW314.45 g/mol
LogP3.82
Rot. Bonds4

About 7-methoxy-4-[6-(methylsulfanylmethyl)-2-azaspiro[3.3]heptan-2-yl]quinoline

7-methoxy-4-[6-(methylsulfanylmethyl)-2-azaspiro[3.3]heptan-2-yl]quinoline (PubChem CID 177346031) has the molecular formula C18H22N2OS and a molecular weight of 314.45 g/mol. Its IUPAC name is 7-methoxy-4-[6-(methylsulfanylmethyl)-2-azaspiro[3.3]heptan-2-yl]quinoline.

Molecular Properties

Compound Name7-methoxy-4-[6-(methylsulfanylmethyl)-2-azaspiro[3.3]heptan-2-yl]quinoline
PubChem CID177346031
Molecular FormulaC18H22N2OS
Molecular Weight314.45 g/mol
Exact Mass314.15
IUPAC Name7-methoxy-4-[6-(methylsulfanylmethyl)-2-azaspiro[3.3]heptan-2-yl]quinoline
SMILESCOc1ccc2c(N3CC4(CC(CSC)C4)C3)ccnc2c1
InChIInChI=1S/C18H22N2OS/c1-21-14-3-4-15-16(7-14)19-6-5-17(15)20-11-18(12-20)8-13(9-18)10-22-2/h3-7,13H,8-12H2,1-2H3
InChIKeyWNZNLTIOCGFSBR-UHFFFAOYSA-N
XLogP3.82
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-methoxy-4-[6-(methylsulfanylmethyl)-2-azaspiro[3.3]heptan-2-yl]quinoline with MolForge

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Related Compounds

diimino-[[2-(7-methoxyquinolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-λ6-sulfane
CID 177346116
2-imino-6-(7-methoxyquinolin-4-yl)-2λ6-thia-6-azaspiro[3.3]heptane 2-oxide
CID 166561971
2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]ethanol
CID 177345975
7-methoxy-4-[3-[2-[methyl(sulfamoyl)amino]ethyl]azetidin-1-yl]quinoline
CID 163274805
2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propanenitrile
CID 155125423
4,7-dimethoxyquinoline
CID 20743716
7-methoxy-4-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]quinoline
CID 166187818
1-(7-chloroquinolin-4-yl)azetidin-3-amine
CID 63759432
imino-[[2-(8-methoxy-1,7-naphthyridin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-oxo-λ6-sulfane
CID 177053080
N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine
CID 118717457
N-[1-(7-chloroquinolin-4-yl)piperidin-4-yl]-3-methoxybenzamide
CID 24830372
(5R)-2-(7-chloroquinolin-4-yl)-9-(2-methoxyethyl)-2,9-diazaspiro[4.5]decane
CID 126437170

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[6-(methylsulfanylmethyl)-2-azaspiro[3.3]heptan-2-yl]quinoline?
The IUPAC name of 7-methoxy-4-[6-(methylsulfanylmethyl)-2-azaspiro[3.3]heptan-2-yl]quinoline (CID 177346031) is 7-methoxy-4-[6-(methylsulfanylmethyl)-2-azaspiro[3.3]heptan-2-yl]quinoline.
What is the SMILES notation for 7-methoxy-4-[6-(methylsulfanylmethyl)-2-azaspiro[3.3]heptan-2-yl]quinoline?
The canonical SMILES for 7-methoxy-4-[6-(methylsulfanylmethyl)-2-azaspiro[3.3]heptan-2-yl]quinoline is COc1ccc2c(N3CC4(CC(CSC)C4)C3)ccnc2c1.
What is the InChIKey of 7-methoxy-4-[6-(methylsulfanylmethyl)-2-azaspiro[3.3]heptan-2-yl]quinoline?
The InChIKey is WNZNLTIOCGFSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2OS/c1-21-14-3-4-15-16(7-14)19-6-5-17(15)20-11-18(12-20)8-13(9-18)10-22-2/h3-7,13H,8-12H2,1-2H3.
What are the key properties of 7-methoxy-4-[6-(methylsulfanylmethyl)-2-azaspiro[3.3]heptan-2-yl]quinoline?
7-methoxy-4-[6-(methylsulfanylmethyl)-2-azaspiro[3.3]heptan-2-yl]quinoline has a molecular weight of 314.45 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[6-(methylsulfanylmethyl)-2-azaspiro[3.3]heptan-2-yl]quinoline is sourced from PubChem (CID 177346031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).