diimino-[[2-(7-methoxyquinolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-λ6-sulfane

C18H24N4OS — CID 177346116

IUPACdiimino-[[2-(7-methoxyquinolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-λ6-sulfane
SMILES[H]N=S(C)(CC1CC2(C1)CN(c1ccnc3cc(OC)ccc13)C2)=N[H]
InChIInChI=1S/C18H24N4OS/c1-23-14-3-4-15-16(7-14)21-6-5-17(15)22-11-18(12-22)8-13(9-18)10-24(2,19)20/h3-7,13,19-20H,8-12H2,1-2H3
InChIKeyRKQIWOVPJIKDIC-UHFFFAOYSA-N
MW344.48 g/mol
LogP3.77
Rot. Bonds4

About diimino-[[2-(7-methoxyquinolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-λ6-sulfane

diimino-[[2-(7-methoxyquinolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-λ6-sulfane (PubChem CID 177346116) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is diimino-[[2-(7-methoxyquinolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-λ6-sulfane.

Molecular Properties

Compound Namediimino-[[2-(7-methoxyquinolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-λ6-sulfane
PubChem CID177346116
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Namediimino-[[2-(7-methoxyquinolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-λ6-sulfane
SMILES[H]N=S(C)(CC1CC2(C1)CN(c1ccnc3cc(OC)ccc13)C2)=N[H]
InChIInChI=1S/C18H24N4OS/c1-23-14-3-4-15-16(7-14)21-6-5-17(15)22-11-18(12-22)8-13(9-18)10-24(2,19)20/h3-7,13,19-20H,8-12H2,1-2H3
InChIKeyRKQIWOVPJIKDIC-UHFFFAOYSA-N
XLogP3.77
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze diimino-[[2-(7-methoxyquinolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-λ6-sulfane with MolForge

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Related Compounds

7-methoxy-4-[6-(methylsulfanylmethyl)-2-azaspiro[3.3]heptan-2-yl]quinoline
CID 177346031
2-imino-6-(7-methoxyquinolin-4-yl)-2λ6-thia-6-azaspiro[3.3]heptane 2-oxide
CID 166561971
imino-[[2-(8-methoxy-1,7-naphthyridin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-oxo-λ6-sulfane
CID 177053080
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
7-methoxy-4-[3-(pyridin-2-ylmethoxy)pyrrolidin-1-yl]quinoline
CID 166187818
2-[1-(7-methoxyquinolin-4-yl)piperidin-4-yl]propanenitrile
CID 155125423
4,7-dimethoxyquinoline
CID 20743716
imino-[3-[(7-methoxyquinolin-4-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane
CID 166561868
7-methoxy-4-[(E)-3-phenylprop-1-enyl]quinoline
CID 70913061
[3-bromo-4-[(7-methoxyquinolin-4-yl)oxymethyl]phenyl]-imino-methyl-oxo-λ6-sulfane
CID 157040867
N,N'-bis(7-methoxyquinolin-4-yl)ethane-1,2-diamine
CID 118717457

Frequently Asked Questions

What is the IUPAC name of diimino-[[2-(7-methoxyquinolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-λ6-sulfane?
The IUPAC name of diimino-[[2-(7-methoxyquinolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-λ6-sulfane (CID 177346116) is diimino-[[2-(7-methoxyquinolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-λ6-sulfane.
What is the SMILES notation for diimino-[[2-(7-methoxyquinolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-λ6-sulfane?
The canonical SMILES for diimino-[[2-(7-methoxyquinolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-λ6-sulfane is [H]N=S(C)(CC1CC2(C1)CN(c1ccnc3cc(OC)ccc13)C2)=N[H].
What is the InChIKey of diimino-[[2-(7-methoxyquinolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-λ6-sulfane?
The InChIKey is RKQIWOVPJIKDIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-23-14-3-4-15-16(7-14)21-6-5-17(15)22-11-18(12-22)8-13(9-18)10-24(2,19)20/h3-7,13,19-20H,8-12H2,1-2H3.
What are the key properties of diimino-[[2-(7-methoxyquinolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-λ6-sulfane?
diimino-[[2-(7-methoxyquinolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-λ6-sulfane has a molecular weight of 344.48 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diimino-[[2-(7-methoxyquinolin-4-yl)-2-azaspiro[3.3]heptan-6-yl]methyl]-methyl-λ6-sulfane is sourced from PubChem (CID 177346116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).