(4-cinnolin-4-yloxyphenyl)-imino-methyl-oxo-λ6-sulfane

C15H13N3O2S — CID 157040747

IUPAC(4-cinnolin-4-yloxyphenyl)-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccc(Oc2cnnc3ccccc23)cc1
InChIInChI=1S/C15H13N3O2S/c1-21(16,19)12-8-6-11(7-9-12)20-15-10-17-18-14-5-3-2-4-13(14)15/h2-10,16H,1H3
InChIKeyZNJFQFYCHXJHGF-UHFFFAOYSA-N
MW299.36 g/mol
LogP3.46
Rot. Bonds3

About (4-cinnolin-4-yloxyphenyl)-imino-methyl-oxo-λ6-sulfane

(4-cinnolin-4-yloxyphenyl)-imino-methyl-oxo-λ6-sulfane (PubChem CID 157040747) has the molecular formula C15H13N3O2S and a molecular weight of 299.36 g/mol. Its IUPAC name is (4-cinnolin-4-yloxyphenyl)-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name(4-cinnolin-4-yloxyphenyl)-imino-methyl-oxo-λ6-sulfane
PubChem CID157040747
Molecular FormulaC15H13N3O2S
Molecular Weight299.36 g/mol
Exact Mass299.07
IUPAC Name(4-cinnolin-4-yloxyphenyl)-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccc(Oc2cnnc3ccccc23)cc1
InChIInChI=1S/C15H13N3O2S/c1-21(16,19)12-8-6-11(7-9-12)20-15-10-17-18-14-5-3-2-4-13(14)15/h2-10,16H,1H3
InChIKeyZNJFQFYCHXJHGF-UHFFFAOYSA-N
XLogP3.46
TPSA75.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-cinnolin-4-yloxyphenyl)-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of (4-cinnolin-4-yloxyphenyl)-imino-methyl-oxo-λ6-sulfane (CID 157040747) is (4-cinnolin-4-yloxyphenyl)-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for (4-cinnolin-4-yloxyphenyl)-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for (4-cinnolin-4-yloxyphenyl)-imino-methyl-oxo-λ6-sulfane is [H]N=S(C)(=O)c1ccc(Oc2cnnc3ccccc23)cc1.
What is the InChIKey of (4-cinnolin-4-yloxyphenyl)-imino-methyl-oxo-λ6-sulfane?
The InChIKey is ZNJFQFYCHXJHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S/c1-21(16,19)12-8-6-11(7-9-12)20-15-10-17-18-14-5-3-2-4-13(14)15/h2-10,16H,1H3.
What are the key properties of (4-cinnolin-4-yloxyphenyl)-imino-methyl-oxo-λ6-sulfane?
(4-cinnolin-4-yloxyphenyl)-imino-methyl-oxo-λ6-sulfane has a molecular weight of 299.36 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cinnolin-4-yloxyphenyl)-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 157040747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).