[8-(6-chloro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]-fluoro-imino-oxo-λ6-sulfane

C18H22ClFN4O2S — CID 170250653

IUPAC[8-(6-chloro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]-fluoro-imino-oxo-λ6-sulfane
SMILES[H]N=[S@](=O)(F)N1CCC2(CCN(c3ccnc4cc(OC)c(Cl)cc34)CC2)C1
InChIInChI=1S/C18H22ClFN4O2S/c1-26-17-11-15-13(10-14(17)19)16(2-6-22-15)23-7-3-18(4-8-23)5-9-24(12-18)27(20,21)25/h2,6,10-11,21H,3-5,7-9,12H2,1H3/t27-/m1/s1
InChIKeyWFUUWGWMJQGWAM-HHHXNRCGSA-N
MW412.92 g/mol
LogP4.04
Rot. Bonds3

About [8-(6-chloro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]-fluoro-imino-oxo-λ6-sulfane

[8-(6-chloro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]-fluoro-imino-oxo-λ6-sulfane (PubChem CID 170250653) has the molecular formula C18H22ClFN4O2S and a molecular weight of 412.92 g/mol. Its IUPAC name is [8-(6-chloro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]-fluoro-imino-oxo-λ6-sulfane.

Molecular Properties

Compound Name[8-(6-chloro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]-fluoro-imino-oxo-λ6-sulfane
PubChem CID170250653
Molecular FormulaC18H22ClFN4O2S
Molecular Weight412.92 g/mol
Exact Mass412.11
IUPAC Name[8-(6-chloro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]-fluoro-imino-oxo-λ6-sulfane
SMILES[H]N=[S@](=O)(F)N1CCC2(CCN(c3ccnc4cc(OC)c(Cl)cc34)CC2)C1
InChIInChI=1S/C18H22ClFN4O2S/c1-26-17-11-15-13(10-14(17)19)16(2-6-22-15)23-7-3-18(4-8-23)5-9-24(12-18)27(20,21)25/h2,6,10-11,21H,3-5,7-9,12H2,1H3/t27-/m1/s1
InChIKeyWFUUWGWMJQGWAM-HHHXNRCGSA-N
XLogP4.04
TPSA69.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [8-(6-chloro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]-fluoro-imino-oxo-λ6-sulfane?
The IUPAC name of [8-(6-chloro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]-fluoro-imino-oxo-λ6-sulfane (CID 170250653) is [8-(6-chloro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]-fluoro-imino-oxo-λ6-sulfane.
What is the SMILES notation for [8-(6-chloro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]-fluoro-imino-oxo-λ6-sulfane?
The canonical SMILES for [8-(6-chloro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]-fluoro-imino-oxo-λ6-sulfane is [H]N=[S@](=O)(F)N1CCC2(CCN(c3ccnc4cc(OC)c(Cl)cc34)CC2)C1.
What is the InChIKey of [8-(6-chloro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]-fluoro-imino-oxo-λ6-sulfane?
The InChIKey is WFUUWGWMJQGWAM-HHHXNRCGSA-N. The full InChI is InChI=1S/C18H22ClFN4O2S/c1-26-17-11-15-13(10-14(17)19)16(2-6-22-15)23-7-3-18(4-8-23)5-9-24(12-18)27(20,21)25/h2,6,10-11,21H,3-5,7-9,12H2,1H3/t27-/m1/s1.
What are the key properties of [8-(6-chloro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]-fluoro-imino-oxo-λ6-sulfane?
[8-(6-chloro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]-fluoro-imino-oxo-λ6-sulfane has a molecular weight of 412.92 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(6-chloro-7-methoxyquinolin-4-yl)-2,8-diazaspiro[4.5]decan-2-yl]-fluoro-imino-oxo-λ6-sulfane is sourced from PubChem (CID 170250653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).