[4-(6-fluoro-7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane

C17H15FN2O3S — CID 157040965

IUPAC[4-(6-fluoro-7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=[S@@](C)(=O)c1ccc(Oc2ccnc3cc(OC)c(F)cc23)cc1
InChIInChI=1S/C17H15FN2O3S/c1-22-17-10-15-13(9-14(17)18)16(7-8-20-15)23-11-3-5-12(6-4-11)24(2,19)21/h3-10,19H,1-2H3/t24-/m0/s1
InChIKeyCDAFKEZKJMKJMK-DEOSSOPVSA-N
MW346.38 g/mol
LogP4.21
Rot. Bonds4

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

[4-(6-fluoro-7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane (PubChem CID 157040965) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is [4-(6-fluoro-7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name[4-(6-fluoro-7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane
PubChem CID157040965
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC Name[4-(6-fluoro-7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=[S@@](C)(=O)c1ccc(Oc2ccnc3cc(OC)c(F)cc23)cc1
InChIInChI=1S/C17H15FN2O3S/c1-22-17-10-15-13(9-14(17)18)16(7-8-20-15)23-11-3-5-12(6-4-11)24(2,19)21/h3-10,19H,1-2H3/t24-/m0/s1
InChIKeyCDAFKEZKJMKJMK-DEOSSOPVSA-N
XLogP4.21
TPSA72.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(6-fluoro-7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of [4-(6-fluoro-7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane (CID 157040965) is [4-(6-fluoro-7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for [4-(6-fluoro-7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for [4-(6-fluoro-7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane is [H]N=[S@@](C)(=O)c1ccc(Oc2ccnc3cc(OC)c(F)cc23)cc1.
What is the InChIKey of [4-(6-fluoro-7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane?
The InChIKey is CDAFKEZKJMKJMK-DEOSSOPVSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c1-22-17-10-15-13(9-14(17)18)16(7-8-20-15)23-11-3-5-12(6-4-11)24(2,19)21/h3-10,19H,1-2H3/t24-/m0/s1.
What are the key properties of [4-(6-fluoro-7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane?
[4-(6-fluoro-7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane has a molecular weight of 346.38 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-fluoro-7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 157040965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).