6-phenoxy-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine

C21H17N5O — CID 143662814

IUPAC6-phenoxy-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine
SMILES[H]/N=C(/Cc1ccc2ncccc2c1)n1nc(Oc2ccccc2)cc/c1=N\[H]
InChIInChI=1S/C21H17N5O/c22-19-10-11-21(27-17-6-2-1-3-7-17)25-26(19)20(23)14-15-8-9-18-16(13-15)5-4-12-24-18/h1-13,22-23H,14H2/b22-19+,23-20-
InChIKeyDAYLFRZJSDRGQL-JMALZQNKSA-N
MW355.40 g/mol
LogP3.77
Rot. Bonds4

About 6-phenoxy-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine

6-phenoxy-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine (PubChem CID 143662814) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is 6-phenoxy-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine.

Molecular Properties

Compound Name6-phenoxy-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine
PubChem CID143662814
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC Name6-phenoxy-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine
SMILES[H]/N=C(/Cc1ccc2ncccc2c1)n1nc(Oc2ccccc2)cc/c1=N\[H]
InChIInChI=1S/C21H17N5O/c22-19-10-11-21(27-17-6-2-1-3-7-17)25-26(19)20(23)14-15-8-9-18-16(13-15)5-4-12-24-18/h1-13,22-23H,14H2/b22-19+,23-20-
InChIKeyDAYLFRZJSDRGQL-JMALZQNKSA-N
XLogP3.77
TPSA87.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-(3,5-difluorophenyl)-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine
CID 143662623
6-phenyl-2-(3-quinolin-6-ylpropanimidoyl)pyridazin-3-imine
CID 143662608
6-methyl-2-[2-[3-(1H-pyrrol-2-yl)quinolin-6-yl]ethanimidoyl]pyridazin-3-imine
CID 143662580
[4-[1-(2-fluoro-2-quinolin-6-ylethanimidoyl)-6-iminopyridazin-3-yl]phenyl]methanamine
CID 143662647
quinolin-6-ylmethyl N-(diaminomethylidene)carbamimidothioate
CID 83083220
ethyl 2-oxo-3-quinolin-6-ylpropanoate
CID 170993998
6-(N-ethoxy-C-methylcarbonimidoyl)-2-(1-quinolin-6-ylcyclopropanecarboximidoyl)pyridazin-3-imine
CID 123225498
bis[N-(2-quinolin-6-ylacetyl)carbamimidoyl] hexanediimidothioate
CID 154038457
6-[4-(chloromethyl)phenoxy]quinoline
CID 82093013
1-(quinolin-6-ylmethyl)cyclopropane-1-carboxylic acid
CID 79425635
2-[3-(7-methoxy-1,5-naphthyridin-4-yl)propanimidoyl]-6-phenylpyridazin-3-imine
CID 154445104
ethane;ethylbenzene;6-ethylquinoline
CID 143817758

Frequently Asked Questions

What is the IUPAC name of 6-phenoxy-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine?
The IUPAC name of 6-phenoxy-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine (CID 143662814) is 6-phenoxy-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine.
What is the SMILES notation for 6-phenoxy-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine?
The canonical SMILES for 6-phenoxy-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine is [H]/N=C(/Cc1ccc2ncccc2c1)n1nc(Oc2ccccc2)cc/c1=N\[H].
What is the InChIKey of 6-phenoxy-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine?
The InChIKey is DAYLFRZJSDRGQL-JMALZQNKSA-N. The full InChI is InChI=1S/C21H17N5O/c22-19-10-11-21(27-17-6-2-1-3-7-17)25-26(19)20(23)14-15-8-9-18-16(13-15)5-4-12-24-18/h1-13,22-23H,14H2/b22-19+,23-20-.
What are the key properties of 6-phenoxy-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine?
6-phenoxy-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine has a molecular weight of 355.40 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenoxy-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine is sourced from PubChem (CID 143662814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).