2-chloro-3-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoxaline

C22H19ClN6 — CID 108772920

IUPAC2-chloro-3-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoxaline
SMILESClc1nc2ccccc2nc1N1CCN(c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C22H19ClN6/c23-21-22(25-19-9-5-4-8-18(19)24-21)29-14-12-28(13-15-29)20-11-10-17(26-27-20)16-6-2-1-3-7-16/h1-11H,12-15H2
InChIKeyZBXSKWJVNQSJTR-UHFFFAOYSA-N
MW402.89 g/mol
LogP4.07
Rot. Bonds3

About 2-chloro-3-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoxaline

2-chloro-3-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoxaline (PubChem CID 108772920) has the molecular formula C22H19ClN6 and a molecular weight of 402.89 g/mol. Its IUPAC name is 2-chloro-3-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoxaline.

Molecular Properties

Compound Name2-chloro-3-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoxaline
PubChem CID108772920
Molecular FormulaC22H19ClN6
Molecular Weight402.89 g/mol
Exact Mass402.14
IUPAC Name2-chloro-3-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoxaline
SMILESClc1nc2ccccc2nc1N1CCN(c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C22H19ClN6/c23-21-22(25-19-9-5-4-8-18(19)24-21)29-14-12-28(13-15-29)20-11-10-17(26-27-20)16-6-2-1-3-7-16/h1-11H,12-15H2
InChIKeyZBXSKWJVNQSJTR-UHFFFAOYSA-N
XLogP4.07
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.89
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoline
CID 108777250
3-[4-(2-fluorophenyl)piperazin-1-yl]-6-phenylpyridazine
CID 29134956
4-methyl-2-[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]quinoline
CID 108777282
2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]quinoxaline
CID 108776824
1-(6-phenylpyridazin-3-yl)piperidin-4-ol
CID 3022103
2-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]-4-methylquinoline
CID 108777251
5-benzyl-2,4-dimethyl-6-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrimidine
CID 108772905
2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetic acid
CID 82167521
3-methyl-5-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-1,2,4-thiadiazole
CID 139029459
1,6-dimethyl-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 139028022
3-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-6-phenylpyridazine
CID 42110738
2-ethyl-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 42110640

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoxaline?
The IUPAC name of 2-chloro-3-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoxaline (CID 108772920) is 2-chloro-3-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoxaline.
What is the SMILES notation for 2-chloro-3-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoxaline?
The canonical SMILES for 2-chloro-3-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoxaline is Clc1nc2ccccc2nc1N1CCN(c2ccc(-c3ccccc3)nn2)CC1.
What is the InChIKey of 2-chloro-3-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoxaline?
The InChIKey is ZBXSKWJVNQSJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN6/c23-21-22(25-19-9-5-4-8-18(19)24-21)29-14-12-28(13-15-29)20-11-10-17(26-27-20)16-6-2-1-3-7-16/h1-11H,12-15H2.
What are the key properties of 2-chloro-3-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoxaline?
2-chloro-3-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoxaline has a molecular weight of 402.89 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]quinoxaline is sourced from PubChem (CID 108772920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).