[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-imino-methyl-oxo-λ6-sulfane

C17H17N3O4S — CID 166561930

IUPAC[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
InChIInChI=1S/C17H17N3O4S/c1-22-15-8-12-13(9-16(15)23-2)19-7-6-14(12)24-11-4-5-17(20-10-11)25(3,18)21/h4-10,18H,1-3H3
InChIKeyNBNDAMHIXOEQIJ-UHFFFAOYSA-N
MW359.41 g/mol
LogP3.47
Rot. Bonds5

About [5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-imino-methyl-oxo-λ6-sulfane

[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-imino-methyl-oxo-λ6-sulfane (PubChem CID 166561930) has the molecular formula C17H17N3O4S and a molecular weight of 359.41 g/mol. Its IUPAC name is [5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-imino-methyl-oxo-λ6-sulfane
PubChem CID166561930
Molecular FormulaC17H17N3O4S
Molecular Weight359.41 g/mol
Exact Mass359.09
IUPAC Name[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1
InChIInChI=1S/C17H17N3O4S/c1-22-15-8-12-13(9-16(15)23-2)19-7-6-14(12)24-11-4-5-17(20-10-11)25(3,18)21/h4-10,18H,1-3H3
InChIKeyNBNDAMHIXOEQIJ-UHFFFAOYSA-N
XLogP3.47
TPSA94.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]phosphane
CID 155331458
methane;4,6,7-trimethoxyquinoline
CID 157066291
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;dihydrochloride
CID 118991674
N-[[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]methyl]formamide
CID 146574108
4-(6,7-dimethoxyquinolin-4-yl)oxybenzoic acid
CID 22132796
4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;methanethiol
CID 165143775
6,7-dimethoxy-4-quinolin-3-yloxyquinoline
CID 23078609
4-(4-cyclopropylphenoxy)-6,7-dimethoxyquinoline
CID 160640233
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
2-(6,7-dimethoxyquinolin-4-yl)oxy-4-methoxybenzaldehyde
CID 23078274
imino-[6-(7-methoxyquinolin-4-yl)oxy-3-pyridinyl]-methyl-oxo-λ6-sulfane
CID 166562049
2-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyaniline;ethane
CID 142885243

Frequently Asked Questions

What is the IUPAC name of [5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of [5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-imino-methyl-oxo-λ6-sulfane (CID 166561930) is [5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for [5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for [5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-imino-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)c1ccc(Oc2ccnc3cc(OC)c(OC)cc23)cn1.
What is the InChIKey of [5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-imino-methyl-oxo-λ6-sulfane?
The InChIKey is NBNDAMHIXOEQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4S/c1-22-15-8-12-13(9-16(15)23-2)19-7-6-14(12)24-11-4-5-17(20-10-11)25(3,18)21/h4-10,18H,1-3H3.
What are the key properties of [5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-imino-methyl-oxo-λ6-sulfane?
[5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-imino-methyl-oxo-λ6-sulfane has a molecular weight of 359.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(6,7-dimethoxyquinolin-4-yl)oxy-2-pyridinyl]-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 166561930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).