[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane

C18H18N2O4S — CID 157040739

IUPAC[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=[S@@](C)(=O)c1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C18H18N2O4S/c1-22-17-10-14-15(11-18(17)23-2)20-9-8-16(14)24-12-4-6-13(7-5-12)25(3,19)21/h4-11,19H,1-3H3/t25-/m0/s1
InChIKeyCIXTYXGXPJNXDM-VWLOTQADSA-N
MW358.42 g/mol
LogP4.08
Rot. Bonds5

About [4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane

[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane (PubChem CID 157040739) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is [4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane
PubChem CID157040739
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC Name[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=[S@@](C)(=O)c1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1
InChIInChI=1S/C18H18N2O4S/c1-22-17-10-14-15(11-18(17)23-2)20-9-8-16(14)24-12-4-6-13(7-5-12)25(3,19)21/h4-11,19H,1-3H3/t25-/m0/s1
InChIKeyCIXTYXGXPJNXDM-VWLOTQADSA-N
XLogP4.08
TPSA81.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of [4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane (CID 157040739) is [4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for [4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for [4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane is [H]N=[S@@](C)(=O)c1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cc1.
What is the InChIKey of [4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane?
The InChIKey is CIXTYXGXPJNXDM-VWLOTQADSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-22-17-10-14-15(11-18(17)23-2)20-9-8-16(14)24-12-4-6-13(7-5-12)25(3,19)21/h4-11,19H,1-3H3/t25-/m0/s1.
What are the key properties of [4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane?
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane has a molecular weight of 358.42 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 157040739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).