4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylquinoline;dihydrochloride

C22H27Cl2N3O — CID 120753959

IUPAC4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylquinoline;dihydrochloride
SMILESCOc1ccccc1C1CNCCN1Cc1cc(C)nc2ccccc12.Cl.Cl
InChIInChI=1S/C22H25N3O.2ClH/c1-16-13-17(18-7-3-5-9-20(18)24-16)15-25-12-11-23-14-21(25)19-8-4-6-10-22(19)26-2;;/h3-10,13,21,23H,11-12,14-15H2,1-2H3;2*1H
InChIKeyMECDKHWKFJKAFM-UHFFFAOYSA-N
MW420.38 g/mol
LogP4.54
Rot. Bonds4

About 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylquinoline;dihydrochloride

4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylquinoline;dihydrochloride (PubChem CID 120753959) has the molecular formula C22H27Cl2N3O and a molecular weight of 420.38 g/mol. Its IUPAC name is 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylquinoline;dihydrochloride.

Molecular Properties

Compound Name4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylquinoline;dihydrochloride
PubChem CID120753959
Molecular FormulaC22H27Cl2N3O
Molecular Weight420.38 g/mol
Exact Mass419.15
IUPAC Name4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylquinoline;dihydrochloride
SMILESCOc1ccccc1C1CNCCN1Cc1cc(C)nc2ccccc12.Cl.Cl
InChIInChI=1S/C22H25N3O.2ClH/c1-16-13-17(18-7-3-5-9-20(18)24-16)15-25-12-11-23-14-21(25)19-8-4-6-10-22(19)26-2;;/h3-10,13,21,23H,11-12,14-15H2,1-2H3;2*1H
InChIKeyMECDKHWKFJKAFM-UHFFFAOYSA-N
XLogP4.54
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.38
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methoxyphenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 120733114
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120767334
2-(2-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 110109239
1-[(2,4-difluorophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753939
2-(2-methoxyphenyl)-1-[(6-methyl-3-pyridinyl)methyl]piperazine;hydrochloride
CID 120767246
1-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine
CID 120767394
1-[[2-(difluoromethoxy)phenyl]methyl]-2-(2-methoxyphenyl)piperazine
CID 120753405
2-methyl-4-[(2-propylpiperazin-1-yl)methyl]quinoline
CID 79232786
2-(2-methoxyphenyl)-1-[(2-methoxy-5-pyridin-4-ylphenyl)methyl]piperazine
CID 120767270
2-(2-methoxyphenyl)-1-(1H-pyrazol-5-ylmethyl)piperazine;hydrochloride
CID 120767431
1-[(2-methoxy-5-nitrophenyl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120753678
5-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 120754223

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylquinoline;dihydrochloride?
The IUPAC name of 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylquinoline;dihydrochloride (CID 120753959) is 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylquinoline;dihydrochloride.
What is the SMILES notation for 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylquinoline;dihydrochloride?
The canonical SMILES for 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylquinoline;dihydrochloride is COc1ccccc1C1CNCCN1Cc1cc(C)nc2ccccc12.Cl.Cl.
What is the InChIKey of 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylquinoline;dihydrochloride?
The InChIKey is MECDKHWKFJKAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O.2ClH/c1-16-13-17(18-7-3-5-9-20(18)24-16)15-25-12-11-23-14-21(25)19-8-4-6-10-22(19)26-2;;/h3-10,13,21,23H,11-12,14-15H2,1-2H3;2*1H.
What are the key properties of 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylquinoline;dihydrochloride?
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylquinoline;dihydrochloride has a molecular weight of 420.38 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylquinoline;dihydrochloride is sourced from PubChem (CID 120753959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).