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

C17H15FN2O3S — CID 166561904

IUPAC[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccc(Oc2ccnc3cc(OC)ccc23)c(F)c1
InChIInChI=1S/C17H15FN2O3S/c1-22-11-3-5-13-15(9-11)20-8-7-16(13)23-17-6-4-12(10-14(17)18)24(2,19)21/h3-10,19H,1-2H3
InChIKeyDPBQOGYPXFIZKA-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.21
Rot. Bonds4

About [3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane

[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane (PubChem CID 166561904) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is [3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane
PubChem CID166561904
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC Name[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccc(Oc2ccnc3cc(OC)ccc23)c(F)c1
InChIInChI=1S/C17H15FN2O3S/c1-22-11-3-5-13-15(9-11)20-8-7-16(13)23-17-6-4-12(10-14(17)18)24(2,19)21/h3-10,19H,1-2H3
InChIKeyDPBQOGYPXFIZKA-UHFFFAOYSA-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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Related Compounds

imino-[6-(7-methoxyquinolin-4-yl)oxy-3-pyridinyl]-methyl-oxo-λ6-sulfane
CID 166562049
N-[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]formamide
CID 88583302
imino-[3-[(7-methoxyquinolin-4-yl)oxymethyl]phenyl]-methyl-oxo-λ6-sulfane
CID 166561868
[3-bromo-4-[(7-methoxyquinolin-4-yl)oxymethyl]phenyl]-imino-methyl-oxo-λ6-sulfane
CID 157040867
4,7-dimethoxyquinoline
CID 20743716
(2R)-2-[[[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]amino]propan-1-ol
CID 168886703
3-chloro-4-(7-methoxyquinolin-4-yl)oxyaniline
CID 90017152
N-[[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 166845109
7-methoxy-4-pyridin-3-yloxyquinoline
CID 154308048
4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 11271621
1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-[[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]methanamine
CID 166845340
[4-(7-methoxyquinolin-4-yl)oxy-2-methylphenyl]methanesulfonamide
CID 157102986

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of [3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane (CID 166561904) is [3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for [3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for [3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)c1ccc(Oc2ccnc3cc(OC)ccc23)c(F)c1.
What is the InChIKey of [3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane?
The InChIKey is DPBQOGYPXFIZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c1-22-11-3-5-13-15(9-11)20-8-7-16(13)23-17-6-4-12(10-14(17)18)24(2,19)21/h3-10,19H,1-2H3.
What are the key properties of [3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane?
[3-fluoro-4-(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 [3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 166561904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).