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

C17H16N2O3S — CID 166561850

IUPACimino-[4-(8-methoxyquinolin-4-yl)oxyphenyl]-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccc(Oc2ccnc3c(OC)cccc23)cc1
InChIInChI=1S/C17H16N2O3S/c1-21-16-5-3-4-14-15(10-11-19-17(14)16)22-12-6-8-13(9-7-12)23(2,18)20/h3-11,18H,1-2H3
InChIKeyAQMLYVSGVTWVFR-UHFFFAOYSA-N
MW328.39 g/mol
LogP4.07
Rot. Bonds4

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

imino-[4-(8-methoxyquinolin-4-yl)oxyphenyl]-methyl-oxo-λ6-sulfane (PubChem CID 166561850) has the molecular formula C17H16N2O3S and a molecular weight of 328.39 g/mol. Its IUPAC name is imino-[4-(8-methoxyquinolin-4-yl)oxyphenyl]-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Nameimino-[4-(8-methoxyquinolin-4-yl)oxyphenyl]-methyl-oxo-λ6-sulfane
PubChem CID166561850
Molecular FormulaC17H16N2O3S
Molecular Weight328.39 g/mol
Exact Mass328.09
IUPAC Nameimino-[4-(8-methoxyquinolin-4-yl)oxyphenyl]-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccc(Oc2ccnc3c(OC)cccc23)cc1
InChIInChI=1S/C17H16N2O3S/c1-21-16-5-3-4-14-15(10-11-19-17(14)16)22-12-6-8-13(9-7-12)23(2,18)20/h3-11,18H,1-2H3
InChIKeyAQMLYVSGVTWVFR-UHFFFAOYSA-N
XLogP4.07
TPSA72.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of imino-[4-(8-methoxyquinolin-4-yl)oxyphenyl]-methyl-oxo-λ6-sulfane?
The IUPAC name of imino-[4-(8-methoxyquinolin-4-yl)oxyphenyl]-methyl-oxo-λ6-sulfane (CID 166561850) is imino-[4-(8-methoxyquinolin-4-yl)oxyphenyl]-methyl-oxo-λ6-sulfane.
What is the SMILES notation for imino-[4-(8-methoxyquinolin-4-yl)oxyphenyl]-methyl-oxo-λ6-sulfane?
The canonical SMILES for imino-[4-(8-methoxyquinolin-4-yl)oxyphenyl]-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)c1ccc(Oc2ccnc3c(OC)cccc23)cc1.
What is the InChIKey of imino-[4-(8-methoxyquinolin-4-yl)oxyphenyl]-methyl-oxo-λ6-sulfane?
The InChIKey is AQMLYVSGVTWVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3S/c1-21-16-5-3-4-14-15(10-11-19-17(14)16)22-12-6-8-13(9-7-12)23(2,18)20/h3-11,18H,1-2H3.
What are the key properties of imino-[4-(8-methoxyquinolin-4-yl)oxyphenyl]-methyl-oxo-λ6-sulfane?
imino-[4-(8-methoxyquinolin-4-yl)oxyphenyl]-methyl-oxo-λ6-sulfane has a molecular weight of 328.39 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imino-[4-(8-methoxyquinolin-4-yl)oxyphenyl]-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 166561850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).