2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-4-methylquinoline

C24H22FN5 — CID 108777251

IUPAC2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-4-methylquinoline
SMILESCc1cc(N2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)nc2ccccc12
InChIInChI=1S/C24H22FN5/c1-17-16-24(26-22-5-3-2-4-20(17)22)30-14-12-29(13-15-30)23-11-10-21(27-28-23)18-6-8-19(25)9-7-18/h2-11,16H,12-15H2,1H3
InChIKeyZQDXXWMCJAVFAX-UHFFFAOYSA-N
MW399.47 g/mol
LogP4.47
Rot. Bonds3

About 2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-4-methylquinoline

2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-4-methylquinoline (PubChem CID 108777251) has the molecular formula C24H22FN5 and a molecular weight of 399.47 g/mol. Its IUPAC name is 2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-4-methylquinoline.

Molecular Properties

Compound Name2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-4-methylquinoline
PubChem CID108777251
Molecular FormulaC24H22FN5
Molecular Weight399.47 g/mol
Exact Mass399.19
IUPAC Name2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-4-methylquinoline
SMILESCc1cc(N2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)nc2ccccc12
InChIInChI=1S/C24H22FN5/c1-17-16-24(26-22-5-3-2-4-20(17)22)30-14-12-29(13-15-30)23-11-10-21(27-28-23)18-6-8-19(25)9-7-18/h2-11,16H,12-15H2,1H3
InChIKeyZQDXXWMCJAVFAX-UHFFFAOYSA-N
XLogP4.47
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]quinoline
CID 108777282
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]quinoxaline
CID 108776824
4-methyl-2-piperazin-1-ylquinoline
CID 598754
2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline
CID 108777261
2-[[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methyl]-1H-benzimidazole
CID 139028312
2-[3-methyl-1-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-1-oxobutan-2-yl]isoindole-1,3-dione
CID 108765060
4-(4-methylquinolin-2-yl)-1,4-thiazinane 1,1-dioxide
CID 71858345
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
3-(4-methylphenyl)-6-[4-(6-phenylpyrimidin-4-yl)piperazin-1-yl]pyridazine
CID 108775200
6-fluoro-4-methyl-2-pyrrolidin-1-ylquinoline
CID 46891905

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-4-methylquinoline?
The IUPAC name of 2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-4-methylquinoline (CID 108777251) is 2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-4-methylquinoline.
What is the SMILES notation for 2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-4-methylquinoline?
The canonical SMILES for 2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-4-methylquinoline is Cc1cc(N2CCN(c3ccc(-c4ccc(F)cc4)nn3)CC2)nc2ccccc12.
What is the InChIKey of 2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-4-methylquinoline?
The InChIKey is ZQDXXWMCJAVFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5/c1-17-16-24(26-22-5-3-2-4-20(17)22)30-14-12-29(13-15-30)23-11-10-21(27-28-23)18-6-8-19(25)9-7-18/h2-11,16H,12-15H2,1H3.
What are the key properties of 2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-4-methylquinoline?
2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-4-methylquinoline has a molecular weight of 399.47 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-4-methylquinoline is sourced from PubChem (CID 108777251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).