8-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride

C18H22ClN5 — CID 120912501

IUPAC8-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1Cc1cccc2cccnc12
InChIInChI=1S/C18H21N5.ClH/c1-22-10-9-21-18(22)16-12-19-8-11-23(16)13-15-5-2-4-14-6-3-7-20-17(14)15;/h2-7,9-10,16,19H,8,11-13H2,1H3;1H
InChIKeyGNAUCWJTMGXOKB-UHFFFAOYSA-N
MW343.86 g/mol
LogP2.54
Rot. Bonds3

About 8-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride

8-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride (PubChem CID 120912501) has the molecular formula C18H22ClN5 and a molecular weight of 343.86 g/mol. Its IUPAC name is 8-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride.

Molecular Properties

Compound Name8-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride
PubChem CID120912501
Molecular FormulaC18H22ClN5
Molecular Weight343.86 g/mol
Exact Mass343.16
IUPAC Name8-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride
SMILESCl.Cn1ccnc1C1CNCCN1Cc1cccc2cccnc12
InChIInChI=1S/C18H21N5.ClH/c1-22-10-9-21-18(22)16-12-19-8-11-23(16)13-15-5-2-4-14-6-3-7-20-17(14)15;/h2-7,9-10,16,19H,8,11-13H2,1H3;1H
InChIKeyGNAUCWJTMGXOKB-UHFFFAOYSA-N
XLogP2.54
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylimidazol-2-yl)-1-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 120912116
8-methyl-6-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride
CID 120912183
1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120869814
8-[[(2R)-2-methylpiperazin-1-yl]methyl]quinoline
CID 82713629
1-[(2,6-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120870214
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
1-[(2,5-dichlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120870280
4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 120871073
1-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912485
1-[(5-bromo-2-chlorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120871243
6-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyridin-3-ol;hydrochloride
CID 120911711
1-[(1-benzylimidazol-2-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912277

Frequently Asked Questions

What is the IUPAC name of 8-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride?
The IUPAC name of 8-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride (CID 120912501) is 8-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride.
What is the SMILES notation for 8-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride?
The canonical SMILES for 8-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride is Cl.Cn1ccnc1C1CNCCN1Cc1cccc2cccnc12.
What is the InChIKey of 8-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride?
The InChIKey is GNAUCWJTMGXOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5.ClH/c1-22-10-9-21-18(22)16-12-19-8-11-23(16)13-15-5-2-4-14-6-3-7-20-17(14)15;/h2-7,9-10,16,19H,8,11-13H2,1H3;1H.
What are the key properties of 8-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride?
8-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride has a molecular weight of 343.86 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride is sourced from PubChem (CID 120912501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).