imino-[[1-(8-methoxyquinolin-4-yl)piperidin-4-yl]methyl]-methyl-oxo-λ6-sulfane

C17H23N3O2S — CID 166561846

IUPACimino-[[1-(8-methoxyquinolin-4-yl)piperidin-4-yl]methyl]-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)CC1CCN(c2ccnc3c(OC)cccc23)CC1
InChIInChI=1S/C17H23N3O2S/c1-22-16-5-3-4-14-15(6-9-19-17(14)16)20-10-7-13(8-11-20)12-23(2,18)21/h3-6,9,13,18H,7-8,10-12H2,1-2H3
InChIKeyWSLSGYPATGKKBY-UHFFFAOYSA-N
MW333.46 g/mol
LogP3.14
Rot. Bonds4

About imino-[[1-(8-methoxyquinolin-4-yl)piperidin-4-yl]methyl]-methyl-oxo-λ6-sulfane

imino-[[1-(8-methoxyquinolin-4-yl)piperidin-4-yl]methyl]-methyl-oxo-λ6-sulfane (PubChem CID 166561846) has the molecular formula C17H23N3O2S and a molecular weight of 333.46 g/mol. Its IUPAC name is imino-[[1-(8-methoxyquinolin-4-yl)piperidin-4-yl]methyl]-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Nameimino-[[1-(8-methoxyquinolin-4-yl)piperidin-4-yl]methyl]-methyl-oxo-λ6-sulfane
PubChem CID166561846
Molecular FormulaC17H23N3O2S
Molecular Weight333.46 g/mol
Exact Mass333.15
IUPAC Nameimino-[[1-(8-methoxyquinolin-4-yl)piperidin-4-yl]methyl]-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)CC1CCN(c2ccnc3c(OC)cccc23)CC1
InChIInChI=1S/C17H23N3O2S/c1-22-16-5-3-4-14-15(6-9-19-17(14)16)20-10-7-13(8-11-20)12-23(2,18)21/h3-6,9,13,18H,7-8,10-12H2,1-2H3
InChIKeyWSLSGYPATGKKBY-UHFFFAOYSA-N
XLogP3.14
TPSA66.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze imino-[[1-(8-methoxyquinolin-4-yl)piperidin-4-yl]methyl]-methyl-oxo-λ6-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of imino-[[1-(8-methoxyquinolin-4-yl)piperidin-4-yl]methyl]-methyl-oxo-λ6-sulfane?
The IUPAC name of imino-[[1-(8-methoxyquinolin-4-yl)piperidin-4-yl]methyl]-methyl-oxo-λ6-sulfane (CID 166561846) is imino-[[1-(8-methoxyquinolin-4-yl)piperidin-4-yl]methyl]-methyl-oxo-λ6-sulfane.
What is the SMILES notation for imino-[[1-(8-methoxyquinolin-4-yl)piperidin-4-yl]methyl]-methyl-oxo-λ6-sulfane?
The canonical SMILES for imino-[[1-(8-methoxyquinolin-4-yl)piperidin-4-yl]methyl]-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)CC1CCN(c2ccnc3c(OC)cccc23)CC1.
What is the InChIKey of imino-[[1-(8-methoxyquinolin-4-yl)piperidin-4-yl]methyl]-methyl-oxo-λ6-sulfane?
The InChIKey is WSLSGYPATGKKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S/c1-22-16-5-3-4-14-15(6-9-19-17(14)16)20-10-7-13(8-11-20)12-23(2,18)21/h3-6,9,13,18H,7-8,10-12H2,1-2H3.
What are the key properties of imino-[[1-(8-methoxyquinolin-4-yl)piperidin-4-yl]methyl]-methyl-oxo-λ6-sulfane?
imino-[[1-(8-methoxyquinolin-4-yl)piperidin-4-yl]methyl]-methyl-oxo-λ6-sulfane has a molecular weight of 333.46 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imino-[[1-(8-methoxyquinolin-4-yl)piperidin-4-yl]methyl]-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 166561846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).