[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone

C23H27N7O — CID 122336357

IUPAC[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
SMILESCN1CCN(c2ccc(N3CCN(C(=O)c4ccc5ccccc5n4)CC3)nn2)CC1
InChIInChI=1S/C23H27N7O/c1-27-10-12-28(13-11-27)21-8-9-22(26-25-21)29-14-16-30(17-15-29)23(31)20-7-6-18-4-2-3-5-19(18)24-20/h2-9H,10-17H2,1H3
InChIKeyBNRWZKWOHCYLKD-UHFFFAOYSA-N
MW417.52 g/mol
LogP1.74
Rot. Bonds3

About [4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone

[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone (PubChem CID 122336357) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is [4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone.

Molecular Properties

Compound Name[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
PubChem CID122336357
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
SMILESCN1CCN(c2ccc(N3CCN(C(=O)c4ccc5ccccc5n4)CC3)nn2)CC1
InChIInChI=1S/C23H27N7O/c1-27-10-12-28(13-11-27)21-8-9-22(26-25-21)29-14-16-30(17-15-29)23(31)20-7-6-18-4-2-3-5-19(18)24-20/h2-9H,10-17H2,1H3
InChIKeyBNRWZKWOHCYLKD-UHFFFAOYSA-N
XLogP1.74
TPSA68.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone 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

[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 42110657
[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 122279259
[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 122347093
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109116154
(4-pyridin-2-ylpiperazin-1-yl)-quinolin-2-ylmethanone
CID 3691532
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111898
[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 122336407
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
(4-benzylpiperazin-1-yl)-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109116153
(4-pyridin-1-ium-4-ylpiperazin-1-yl)-quinolin-2-ylmethanone
CID 9228414
[4-(6-pyrrol-1-ylpyrimidin-4-yl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 122341955
phenyl-(4-quinolin-2-ylpiperazin-1-yl)methanone
CID 23879424

Frequently Asked Questions

What is the IUPAC name of [4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone?
The IUPAC name of [4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone (CID 122336357) is [4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone.
What is the SMILES notation for [4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone?
The canonical SMILES for [4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone is CN1CCN(c2ccc(N3CCN(C(=O)c4ccc5ccccc5n4)CC3)nn2)CC1.
What is the InChIKey of [4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone?
The InChIKey is BNRWZKWOHCYLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-27-10-12-28(13-11-27)21-8-9-22(26-25-21)29-14-16-30(17-15-29)23(31)20-7-6-18-4-2-3-5-19(18)24-20/h2-9H,10-17H2,1H3.
What are the key properties of [4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone?
[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone has a molecular weight of 417.52 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone is sourced from PubChem (CID 122336357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).