[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-imino-methyl-oxo-λ6-sulfane

C18H17FN2O4S — CID 166561916

IUPAC[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1
InChIInChI=1S/C18H17FN2O4S/c1-23-17-9-12-14(10-18(17)24-2)21-7-6-15(12)25-16-5-4-11(8-13(16)19)26(3,20)22/h4-10,20H,1-3H3
InChIKeyDOUDGYDRMPAUEY-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.22
Rot. Bonds5

About [4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-imino-methyl-oxo-λ6-sulfane

[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-imino-methyl-oxo-λ6-sulfane (PubChem CID 166561916) has the molecular formula C18H17FN2O4S and a molecular weight of 376.41 g/mol. Its IUPAC name is [4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-imino-methyl-oxo-λ6-sulfane
PubChem CID166561916
Molecular FormulaC18H17FN2O4S
Molecular Weight376.41 g/mol
Exact Mass376.09
IUPAC Name[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1
InChIInChI=1S/C18H17FN2O4S/c1-23-17-9-12-14(10-18(17)24-2)21-7-6-15(12)25-16-5-4-11(8-13(16)19)26(3,20)22/h4-10,20H,1-3H3
InChIKeyDOUDGYDRMPAUEY-UHFFFAOYSA-N
XLogP4.22
TPSA81.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.22
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)oxy-3-fluorophenyl]-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of [4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-imino-methyl-oxo-λ6-sulfane (CID 166561916) is [4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for [4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for [4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-imino-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)c1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(F)c1.
What is the InChIKey of [4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-imino-methyl-oxo-λ6-sulfane?
The InChIKey is DOUDGYDRMPAUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4S/c1-23-17-9-12-14(10-18(17)24-2)21-7-6-15(12)25-16-5-4-11(8-13(16)19)26(3,20)22/h4-10,20H,1-3H3.
What are the key properties of [4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-imino-methyl-oxo-λ6-sulfane?
[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-imino-methyl-oxo-λ6-sulfane has a molecular weight of 376.41 g/mol, XLogP of 4.22, 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)oxy-3-fluorophenyl]-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 166561916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).