8-methyl-6-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride

C19H24ClN5 — CID 120912183

IUPAC8-methyl-6-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride
SMILESCc1cc(CN2CCNCC2c2nccn2C)cc2cccnc12.Cl
InChIInChI=1S/C19H23N5.ClH/c1-14-10-15(11-16-4-3-5-21-18(14)16)13-24-9-6-20-12-17(24)19-22-7-8-23(19)2;/h3-5,7-8,10-11,17,20H,6,9,12-13H2,1-2H3;1H
InChIKeyYXGUNSSVWIXPJN-UHFFFAOYSA-N
MW357.89 g/mol
LogP2.85
Rot. Bonds3

About 8-methyl-6-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride

8-methyl-6-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride (PubChem CID 120912183) has the molecular formula C19H24ClN5 and a molecular weight of 357.89 g/mol. Its IUPAC name is 8-methyl-6-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride.

Molecular Properties

Compound Name8-methyl-6-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride
PubChem CID120912183
Molecular FormulaC19H24ClN5
Molecular Weight357.89 g/mol
Exact Mass357.17
IUPAC Name8-methyl-6-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride
SMILESCc1cc(CN2CCNCC2c2nccn2C)cc2cccnc12.Cl
InChIInChI=1S/C19H23N5.ClH/c1-14-10-15(11-16-4-3-5-21-18(14)16)13-24-9-6-20-12-17(24)19-22-7-8-23(19)2;/h3-5,7-8,10-11,17,20H,6,9,12-13H2,1-2H3;1H
InChIKeyYXGUNSSVWIXPJN-UHFFFAOYSA-N
XLogP2.85
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.89
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride
CID 120912501
1-[(4-fluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120869959
2-(1-methylimidazol-2-yl)-1-[(2-methyl-3-pyridinyl)methyl]piperazine
CID 120912116
1-[[4-(difluoromethoxy)-3,5-dimethylphenyl]methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911748
1-[(3,5-dimethoxyphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911740
1-[(3-ethylsulfanylphenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120911795
3-fluoro-5-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]phenol;hydrochloride
CID 120912083
1-[(2,3-difluorophenyl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120869814
1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1-methylimidazol-2-yl)piperazine;hydrochloride
CID 120912365
4-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]-2-pyrimidin-2-yl-1,3-thiazole
CID 120871073
9-methyl-2-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 120870027
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-methyl-6-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride?
The IUPAC name of 8-methyl-6-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride (CID 120912183) is 8-methyl-6-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride.
What is the SMILES notation for 8-methyl-6-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride?
The canonical SMILES for 8-methyl-6-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride is Cc1cc(CN2CCNCC2c2nccn2C)cc2cccnc12.Cl.
What is the InChIKey of 8-methyl-6-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride?
The InChIKey is YXGUNSSVWIXPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5.ClH/c1-14-10-15(11-16-4-3-5-21-18(14)16)13-24-9-6-20-12-17(24)19-22-7-8-23(19)2;/h3-5,7-8,10-11,17,20H,6,9,12-13H2,1-2H3;1H.
What are the key properties of 8-methyl-6-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride?
8-methyl-6-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride has a molecular weight of 357.89 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-[[2-(1-methylimidazol-2-yl)piperazin-1-yl]methyl]quinoline;hydrochloride is sourced from PubChem (CID 120912183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).