5,6-dimethyl-3-quinolin-3-yloxypyridazine-4-carbonitrile

C16H12N4O — CID 102846558

IUPAC5,6-dimethyl-3-quinolin-3-yloxypyridazine-4-carbonitrile
SMILESCc1nnc(Oc2cnc3ccccc3c2)c(C#N)c1C
InChIInChI=1S/C16H12N4O/c1-10-11(2)19-20-16(14(10)8-17)21-13-7-12-5-3-4-6-15(12)18-9-13/h3-7,9H,1-2H3
InChIKeyWGJMZAIAEQWGQD-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.31
Rot. Bonds2

About 5,6-dimethyl-3-quinolin-3-yloxypyridazine-4-carbonitrile

5,6-dimethyl-3-quinolin-3-yloxypyridazine-4-carbonitrile (PubChem CID 102846558) has the molecular formula C16H12N4O and a molecular weight of 276.30 g/mol. Its IUPAC name is 5,6-dimethyl-3-quinolin-3-yloxypyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-quinolin-3-yloxypyridazine-4-carbonitrile
PubChem CID102846558
Molecular FormulaC16H12N4O
Molecular Weight276.30 g/mol
Exact Mass276.10
IUPAC Name5,6-dimethyl-3-quinolin-3-yloxypyridazine-4-carbonitrile
SMILESCc1nnc(Oc2cnc3ccccc3c2)c(C#N)c1C
InChIInChI=1S/C16H12N4O/c1-10-11(2)19-20-16(14(10)8-17)21-13-7-12-5-3-4-6-15(12)18-9-13/h3-7,9H,1-2H3
InChIKeyWGJMZAIAEQWGQD-UHFFFAOYSA-N
XLogP3.31
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5,6-dimethyl-3-(quinolin-3-ylamino)pyridazine-4-carbonitrile
CID 62783443
3-(3,4-dimethylphenoxy)-5,6-dimethylpyridazine-4-carbonitrile
CID 60725799
3-(4-ethoxyphenoxy)-5,6-dimethylpyridazine-4-carbonitrile
CID 31535484
3-(3,5-dichlorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile
CID 31535943
5-methyl-4-quinolin-3-yloxypyrimidin-2-amine
CID 107388419
3-(4-cyano-3-fluorophenoxy)-5,6-dimethylpyridazine-4-carbonitrile
CID 78952723
3-(2-tert-butylphenoxy)-5,6-dimethylpyridazine-4-carbonitrile
CID 61097659
3,5-difluoro-4-quinolin-3-yloxybenzonitrile
CID 107387129
N,5-dimethyl-4-quinolin-3-yloxypyrimidin-2-amine
CID 107388464
2-quinolin-3-yloxypropanenitrile
CID 107388161
N-ethyl-5-methyl-4-quinolin-3-yloxypyrimidin-2-amine
CID 107388463
3-(5-bromo-4-methoxypyrimidin-2-yl)oxyquinoline
CID 107387714

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-quinolin-3-yloxypyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-quinolin-3-yloxypyridazine-4-carbonitrile (CID 102846558) is 5,6-dimethyl-3-quinolin-3-yloxypyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-quinolin-3-yloxypyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-quinolin-3-yloxypyridazine-4-carbonitrile is Cc1nnc(Oc2cnc3ccccc3c2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-quinolin-3-yloxypyridazine-4-carbonitrile?
The InChIKey is WGJMZAIAEQWGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O/c1-10-11(2)19-20-16(14(10)8-17)21-13-7-12-5-3-4-6-15(12)18-9-13/h3-7,9H,1-2H3.
What are the key properties of 5,6-dimethyl-3-quinolin-3-yloxypyridazine-4-carbonitrile?
5,6-dimethyl-3-quinolin-3-yloxypyridazine-4-carbonitrile has a molecular weight of 276.30 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-quinolin-3-yloxypyridazine-4-carbonitrile is sourced from PubChem (CID 102846558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).