imino-[6-(7-methoxyquinolin-4-yl)oxy-3-pyridinyl]-methyl-oxo-λ6-sulfane

C16H15N3O3S — CID 166562049

IUPACimino-[6-(7-methoxyquinolin-4-yl)oxy-3-pyridinyl]-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccc(Oc2ccnc3cc(OC)ccc23)nc1
InChIInChI=1S/C16H15N3O3S/c1-21-11-3-5-13-14(9-11)18-8-7-15(13)22-16-6-4-12(10-19-16)23(2,17)20/h3-10,17H,1-2H3
InChIKeyYTZHNXOOQZYUFU-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.47
Rot. Bonds4

About imino-[6-(7-methoxyquinolin-4-yl)oxy-3-pyridinyl]-methyl-oxo-λ6-sulfane

imino-[6-(7-methoxyquinolin-4-yl)oxy-3-pyridinyl]-methyl-oxo-λ6-sulfane (PubChem CID 166562049) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is imino-[6-(7-methoxyquinolin-4-yl)oxy-3-pyridinyl]-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Nameimino-[6-(7-methoxyquinolin-4-yl)oxy-3-pyridinyl]-methyl-oxo-λ6-sulfane
PubChem CID166562049
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Nameimino-[6-(7-methoxyquinolin-4-yl)oxy-3-pyridinyl]-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccc(Oc2ccnc3cc(OC)ccc23)nc1
InChIInChI=1S/C16H15N3O3S/c1-21-11-3-5-13-14(9-11)18-8-7-15(13)22-16-6-4-12(10-19-16)23(2,17)20/h3-10,17H,1-2H3
InChIKeyYTZHNXOOQZYUFU-UHFFFAOYSA-N
XLogP3.47
TPSA85.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-fluoro-4-(7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-λ6-sulfane
CID 166561904
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
7-methoxy-4-[[5-(sulfinoamino)-2-pyridinyl]oxy]quinoline
CID 155100012
4,7-dimethoxyquinoline
CID 20743716
(2R)-2-[[[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]amino]propan-1-ol
CID 168886703
7-methoxy-4-pyridin-3-yloxyquinoline
CID 154308048
[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-imino-methyl-oxo-λ6-sulfane
CID 166561930
N-[[4-(7-methoxyquinolin-4-yl)oxyphenyl]sulfonimidoyl]-1-[(2R)-pyrrolidin-2-yl]methanamine
CID 166845109
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
2-[4-(7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 18456647

Frequently Asked Questions

What is the IUPAC name of imino-[6-(7-methoxyquinolin-4-yl)oxy-3-pyridinyl]-methyl-oxo-λ6-sulfane?
The IUPAC name of imino-[6-(7-methoxyquinolin-4-yl)oxy-3-pyridinyl]-methyl-oxo-λ6-sulfane (CID 166562049) is imino-[6-(7-methoxyquinolin-4-yl)oxy-3-pyridinyl]-methyl-oxo-λ6-sulfane.
What is the SMILES notation for imino-[6-(7-methoxyquinolin-4-yl)oxy-3-pyridinyl]-methyl-oxo-λ6-sulfane?
The canonical SMILES for imino-[6-(7-methoxyquinolin-4-yl)oxy-3-pyridinyl]-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)c1ccc(Oc2ccnc3cc(OC)ccc23)nc1.
What is the InChIKey of imino-[6-(7-methoxyquinolin-4-yl)oxy-3-pyridinyl]-methyl-oxo-λ6-sulfane?
The InChIKey is YTZHNXOOQZYUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-21-11-3-5-13-14(9-11)18-8-7-15(13)22-16-6-4-12(10-19-16)23(2,17)20/h3-10,17H,1-2H3.
What are the key properties of imino-[6-(7-methoxyquinolin-4-yl)oxy-3-pyridinyl]-methyl-oxo-λ6-sulfane?
imino-[6-(7-methoxyquinolin-4-yl)oxy-3-pyridinyl]-methyl-oxo-λ6-sulfane has a molecular weight of 329.38 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imino-[6-(7-methoxyquinolin-4-yl)oxy-3-pyridinyl]-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 166562049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).