6-phenyl-2-(3-quinolin-6-ylpropanimidoyl)pyridazin-3-imine

C22H19N5 — CID 143662608

IUPAC6-phenyl-2-(3-quinolin-6-ylpropanimidoyl)pyridazin-3-imine
SMILES[H]/N=C(\CCc1ccc2ncccc2c1)n1nc(-c2ccccc2)cc/c1=N\[H]
InChIInChI=1S/C22H19N5/c23-21(12-9-16-8-10-19-18(15-16)7-4-14-25-19)27-22(24)13-11-20(26-27)17-5-2-1-3-6-17/h1-8,10-11,13-15,23-24H,9,12H2/b23-21+,24-22+
InChIKeyMFZCCRDUHFWNQE-MBALSZOMSA-N
MW353.43 g/mol
LogP4.04
Rot. Bonds4

About 6-phenyl-2-(3-quinolin-6-ylpropanimidoyl)pyridazin-3-imine

6-phenyl-2-(3-quinolin-6-ylpropanimidoyl)pyridazin-3-imine (PubChem CID 143662608) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is 6-phenyl-2-(3-quinolin-6-ylpropanimidoyl)pyridazin-3-imine.

Molecular Properties

Compound Name6-phenyl-2-(3-quinolin-6-ylpropanimidoyl)pyridazin-3-imine
PubChem CID143662608
Molecular FormulaC22H19N5
Molecular Weight353.43 g/mol
Exact Mass353.16
IUPAC Name6-phenyl-2-(3-quinolin-6-ylpropanimidoyl)pyridazin-3-imine
SMILES[H]/N=C(\CCc1ccc2ncccc2c1)n1nc(-c2ccccc2)cc/c1=N\[H]
InChIInChI=1S/C22H19N5/c23-21(12-9-16-8-10-19-18(15-16)7-4-14-25-19)27-22(24)13-11-20(26-27)17-5-2-1-3-6-17/h1-8,10-11,13-15,23-24H,9,12H2/b23-21+,24-22+
InChIKeyMFZCCRDUHFWNQE-MBALSZOMSA-N
XLogP4.04
TPSA78.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.04
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'}

Analyze 6-phenyl-2-(3-quinolin-6-ylpropanimidoyl)pyridazin-3-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(3,5-difluorophenyl)-2-(2-quinolin-6-ylethanimidoyl)pyridazin-3-imine
CID 143662623
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
2-[3-(7-methoxy-1,5-naphthyridin-4-yl)propanimidoyl]-6-phenylpyridazin-3-imine
CID 154445104
6-phenyl-2-(2-pyridin-4-yloxyethanimidoyl)pyridazin-3-imine
CID 143611246
6-phenyl-2-(2-quinolin-6-ylethyl)pyridazin-3-one
CID 59843000
5-[1-(2,2-difluoro-2-quinolin-6-ylethanimidoyl)-6-iminopyridazin-3-yl]thiophene-2-carboxylic acid
CID 130414013
6-(2-chloroethyl)quinoline
CID 53404433
6-(2-bromoethyl)quinoline
CID 68811984
6-(imidazo[4,5-b]pyridin-3-ylmethyl)-2-phenylquinoline
CID 154308926
3-quinolin-6-ylpropanenitrile
CID 53417284
6-methyl-2-[2-[3-(1H-pyrrol-2-yl)quinolin-6-yl]ethanimidoyl]pyridazin-3-imine
CID 143662580

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-(3-quinolin-6-ylpropanimidoyl)pyridazin-3-imine?
The IUPAC name of 6-phenyl-2-(3-quinolin-6-ylpropanimidoyl)pyridazin-3-imine (CID 143662608) is 6-phenyl-2-(3-quinolin-6-ylpropanimidoyl)pyridazin-3-imine.
What is the SMILES notation for 6-phenyl-2-(3-quinolin-6-ylpropanimidoyl)pyridazin-3-imine?
The canonical SMILES for 6-phenyl-2-(3-quinolin-6-ylpropanimidoyl)pyridazin-3-imine is [H]/N=C(\CCc1ccc2ncccc2c1)n1nc(-c2ccccc2)cc/c1=N\[H].
What is the InChIKey of 6-phenyl-2-(3-quinolin-6-ylpropanimidoyl)pyridazin-3-imine?
The InChIKey is MFZCCRDUHFWNQE-MBALSZOMSA-N. The full InChI is InChI=1S/C22H19N5/c23-21(12-9-16-8-10-19-18(15-16)7-4-14-25-19)27-22(24)13-11-20(26-27)17-5-2-1-3-6-17/h1-8,10-11,13-15,23-24H,9,12H2/b23-21+,24-22+.
What are the key properties of 6-phenyl-2-(3-quinolin-6-ylpropanimidoyl)pyridazin-3-imine?
6-phenyl-2-(3-quinolin-6-ylpropanimidoyl)pyridazin-3-imine has a molecular weight of 353.43 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-(3-quinolin-6-ylpropanimidoyl)pyridazin-3-imine is sourced from PubChem (CID 143662608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).