imino-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-methyl-oxo-λ6-sulfane

C16H15N3O3S — CID 166562117

IUPACimino-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccc(Oc2ccnc3cc(OC)ccc23)cn1
InChIInChI=1S/C16H15N3O3S/c1-21-11-3-5-13-14(9-11)18-8-7-15(13)22-12-4-6-16(19-10-12)23(2,17)20/h3-10,17H,1-2H3
InChIKeyRBFSKZLIXJFSPZ-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.47
Rot. Bonds4

About imino-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-methyl-oxo-λ6-sulfane

imino-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-methyl-oxo-λ6-sulfane (PubChem CID 166562117) has the molecular formula C16H15N3O3S and a molecular weight of 329.38 g/mol. Its IUPAC name is imino-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Nameimino-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-methyl-oxo-λ6-sulfane
PubChem CID166562117
Molecular FormulaC16H15N3O3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Nameimino-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccc(Oc2ccnc3cc(OC)ccc23)cn1
InChIInChI=1S/C16H15N3O3S/c1-21-11-3-5-13-14(9-11)18-8-7-15(13)22-12-4-6-16(19-10-12)23(2,17)20/h3-10,17H,1-2H3
InChIKeyRBFSKZLIXJFSPZ-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

6-Fluoro-7-methoxy-4-[4-(methylsulfonimidoyl)phenoxy]quinoline-3-carbonitrile
CID 157040759
[3-[(6-Fluoro-7-methoxyquinolin-4-yl)oxymethyl]phenyl]-imino-methyl-oxo-lambda6-sulfane
CID 157040800
[4-(6-Fluoro-7-methoxyquinolin-4-yl)oxyphenyl]-imino-methyl-oxo-lambda6-sulfane
CID 157040965
(3-{[(6-Fluoro-7-methoxyquinolin-4-yl)oxy]methyl}phenyl)(imino)methyl-lambda6-sulfanone
CID 166561841
6-fluoro-7-methoxy-4-(4-(S-methylsulfonimidoyl)phenoxy)quinoline-3-carbonitrile
CID 166561867
(2-Fluoro-4-((7-methoxyquinolin-4-yl)oxy)phenyl)(imino)(methyl)-lambda6-sulfanone
CID 166561901
(3-Fluoro-4-((7-methoxyquinolin-4-yl)oxy)phenyl)(imino)(methyl)-lambda6-sulfanone
CID 166561904
{4-[(6,7-Dimethoxyquinolin-4-yl)oxy]-3-fluorophenyl}(imino)methyl-lambda6-sulfanone
CID 166561916
{4-[(8-Fluoro-7-methoxyquinolin-4-yl)oxy]phenyl}(imino)methyl-lambda6-sulfanone
CID 166561924
{4-[(6-Fluoro-7-methoxyquinolin-4-yl)oxy]phenyl}(imino)methyl-lambda6-sulfanone
CID 166561960
(3-Fluoro-5-{[(7-methoxyquinolin-4-yl)oxy]methyl}phenyl)(imino)methyl-lambda6-sulfanone
CID 166561970
[3-Fluoro-5-[(7-methoxyquinolin-4-yl)oxymethyl]phenyl]-imino-methyl-oxo-lambda6-sulfane
CID 166562011

Frequently Asked Questions

What is the IUPAC name of imino-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-methyl-oxo-λ6-sulfane?
The IUPAC name of imino-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-methyl-oxo-λ6-sulfane (CID 166562117) is imino-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-methyl-oxo-λ6-sulfane.
What is the SMILES notation for imino-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-methyl-oxo-λ6-sulfane?
The canonical SMILES for imino-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)c1ccc(Oc2ccnc3cc(OC)ccc23)cn1.
What is the InChIKey of imino-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-methyl-oxo-λ6-sulfane?
The InChIKey is RBFSKZLIXJFSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S/c1-21-11-3-5-13-14(9-11)18-8-7-15(13)22-12-4-6-16(19-10-12)23(2,17)20/h3-10,17H,1-2H3.
What are the key properties of imino-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-methyl-oxo-λ6-sulfane?
imino-[5-(7-methoxyquinolin-4-yl)oxy-2-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-[5-(7-methoxyquinolin-4-yl)oxy-2-pyridinyl]-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 166562117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).