4-methyl-2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]quinoline

C25H25N5 — CID 108777282

IUPAC4-methyl-2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]quinoline
SMILESCc1ccc(-c2ccc(N3CCN(c4cc(C)c5ccccc5n4)CC3)nn2)cc1
InChIInChI=1S/C25H25N5/c1-18-7-9-20(10-8-18)22-11-12-24(28-27-22)29-13-15-30(16-14-29)25-17-19(2)21-5-3-4-6-23(21)26-25/h3-12,17H,13-16H2,1-2H3
InChIKeyXOUXQBDYCATYAC-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.64
Rot. Bonds3

About 4-methyl-2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]quinoline

4-methyl-2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]quinoline (PubChem CID 108777282) has the molecular formula C25H25N5 and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-methyl-2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]quinoline.

Molecular Properties

Compound Name4-methyl-2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]quinoline
PubChem CID108777282
Molecular FormulaC25H25N5
Molecular Weight395.51 g/mol
Exact Mass395.21
IUPAC Name4-methyl-2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]quinoline
SMILESCc1ccc(-c2ccc(N3CCN(c4cc(C)c5ccccc5n4)CC3)nn2)cc1
InChIInChI=1S/C25H25N5/c1-18-7-9-20(10-8-18)22-11-12-24(28-27-22)29-13-15-30(16-14-29)25-17-19(2)21-5-3-4-6-23(21)26-25/h3-12,17H,13-16H2,1-2H3
InChIKeyXOUXQBDYCATYAC-UHFFFAOYSA-N
XLogP4.64
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoline
CID 108777250
2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-4-methylquinoline
CID 108777251
3-(4-methylphenyl)-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 108775200
2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline
CID 108777261
4-methyl-2-piperazin-1-ylquinoline
CID 598754
2-[3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxobutan-2-yl]isoindole-1,3-dione
CID 108765060
2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]quinoxaline
CID 108776824
4-(4-methylquinolin-2-yl)-1,4-thiazinane 1,1-dioxide
CID 71858345
3-(4-methylphenyl)-6-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 108773558
2-[4-(4-methoxyphenyl)piperazin-1-yl]-4-methylquinoline
CID 4884632
2-chloro-3-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoxaline
CID 108772920
[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 42110657

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]quinoline?
The IUPAC name of 4-methyl-2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]quinoline (CID 108777282) is 4-methyl-2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]quinoline.
What is the SMILES notation for 4-methyl-2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]quinoline?
The canonical SMILES for 4-methyl-2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]quinoline is Cc1ccc(-c2ccc(N3CCN(c4cc(C)c5ccccc5n4)CC3)nn2)cc1.
What is the InChIKey of 4-methyl-2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]quinoline?
The InChIKey is XOUXQBDYCATYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5/c1-18-7-9-20(10-8-18)22-11-12-24(28-27-22)29-13-15-30(16-14-29)25-17-19(2)21-5-3-4-6-23(21)26-25/h3-12,17H,13-16H2,1-2H3.
What are the key properties of 4-methyl-2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]quinoline?
4-methyl-2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]quinoline has a molecular weight of 395.51 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]quinoline is sourced from PubChem (CID 108777282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).