6-(3,5-difluorophenyl)-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine

C21H15F2N5 — CID 143662623

IUPAC6-(3,5-difluorophenyl)-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine
SMILES[H]/N=C(/Cc1ccc2ncccc2c1)n1nc(-c2cc(F)cc(F)c2)cc/c1=N\[H]
InChIInChI=1S/C21H15F2N5/c22-16-10-15(11-17(23)12-16)19-5-6-20(24)28(27-19)21(25)9-13-3-4-18-14(8-13)2-1-7-26-18/h1-8,10-12,24-25H,9H2/b24-20+,25-21-
InChIKeyZRQHARXZQCCYFW-AIMKKSDKSA-N
MW375.38 g/mol
LogP3.92
Rot. Bonds3

About 6-(3,5-difluorophenyl)-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine

6-(3,5-difluorophenyl)-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine (PubChem CID 143662623) has the molecular formula C21H15F2N5 and a molecular weight of 375.38 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine
PubChem CID143662623
Molecular FormulaC21H15F2N5
Molecular Weight375.38 g/mol
Exact Mass375.13
IUPAC Name6-(3,5-difluorophenyl)-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine
SMILES[H]/N=C(/Cc1ccc2ncccc2c1)n1nc(-c2cc(F)cc(F)c2)cc/c1=N\[H]
InChIInChI=1S/C21H15F2N5/c22-16-10-15(11-17(23)12-16)19-5-6-20(24)28(27-19)21(25)9-13-3-4-18-14(8-13)2-1-7-26-18/h1-8,10-12,24-25H,9H2/b24-20+,25-21-
InChIKeyZRQHARXZQCCYFW-AIMKKSDKSA-N
XLogP3.92
TPSA78.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-phenyl-2-(3-quinolin-6-ylpropanimidoyl)pyridazin-3-imine
CID 143662608
6-phenoxy-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine
CID 143662814
[4-[1-(2-fluoro-2-quinolin-6-ylethanimidoyl)-6-iminopyridazin-3-yl]phenyl]methanamine
CID 143662647
6-(3,5-difluorophenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one;ethane
CID 143480962
6-methyl-2-[2-[3-(1H-pyrrol-2-yl)quinolin-6-yl]ethanimidoyl]pyridazin-3-imine
CID 143662580
(Z)-N-(1-amino-2-quinolin-6-ylethylidene)-4-(3,5-difluorophenyl)-4-iminobut-2-enimidamide
CID 143662439
6-(3-fluoro-5-methylphenyl)-2-(quinolin-6-ylmethyl)pyridazin-3-one
CID 143480942
5-[1-(2,2-difluoro-2-quinolin-6-ylethanimidoyl)-6-iminopyridazin-3-yl]thiophene-2-carboxylic acid
CID 130414013
2-[3-(7-methoxy-1,5-naphthyridin-4-yl)propanimidoyl]-6-phenylpyridazin-3-imine
CID 154445104
6-[[5-(3-fluorophenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 54670606
bis[N-(2-quinolin-6-ylacetyl)carbamimidoyl] hexanediimidothioate
CID 154038457
quinolin-6-ylmethyl N-(diaminomethylidene)carbamimidothioate
CID 83083220

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine?
The IUPAC name of 6-(3,5-difluorophenyl)-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine (CID 143662623) is 6-(3,5-difluorophenyl)-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine.
What is the SMILES notation for 6-(3,5-difluorophenyl)-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine?
The canonical SMILES for 6-(3,5-difluorophenyl)-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine is [H]/N=C(/Cc1ccc2ncccc2c1)n1nc(-c2cc(F)cc(F)c2)cc/c1=N\[H].
What is the InChIKey of 6-(3,5-difluorophenyl)-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine?
The InChIKey is ZRQHARXZQCCYFW-AIMKKSDKSA-N. The full InChI is InChI=1S/C21H15F2N5/c22-16-10-15(11-17(23)12-16)19-5-6-20(24)28(27-19)21(25)9-13-3-4-18-14(8-13)2-1-7-26-18/h1-8,10-12,24-25H,9H2/b24-20+,25-21-.
What are the key properties of 6-(3,5-difluorophenyl)-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine?
6-(3,5-difluorophenyl)-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine has a molecular weight of 375.38 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine is sourced from PubChem (CID 143662623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).