[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride

C19H23Cl2N5O — CID 120880759

IUPAC[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
SMILESCc1cc(C(=O)N2CCNCC2c2nccn2C)c2ccccc2n1.Cl.Cl
InChIInChI=1S/C19H21N5O.2ClH/c1-13-11-15(14-5-3-4-6-16(14)22-13)19(25)24-10-7-20-12-17(24)18-21-8-9-23(18)2;;/h3-6,8-9,11,17,20H,7,10,12H2,1-2H3;2*1H
InChIKeySOMJPOVOARJKAJ-UHFFFAOYSA-N
MW408.33 g/mol
LogP2.91
Rot. Bonds2

About [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride (PubChem CID 120880759) has the molecular formula C19H23Cl2N5O and a molecular weight of 408.33 g/mol. Its IUPAC name is [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
PubChem CID120880759
Molecular FormulaC19H23Cl2N5O
Molecular Weight408.33 g/mol
Exact Mass407.13
IUPAC Name[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
SMILESCc1cc(C(=O)N2CCNCC2c2nccn2C)c2ccccc2n1.Cl.Cl
InChIInChI=1S/C19H21N5O.2ClH/c1-13-11-15(14-5-3-4-6-16(14)22-13)19(25)24-10-7-20-12-17(24)18-21-8-9-23(18)2;;/h3-6,8-9,11,17,20H,7,10,12H2,1-2H3;2*1H
InChIKeySOMJPOVOARJKAJ-UHFFFAOYSA-N
XLogP2.91
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylquinolin-3-yl)methanone
CID 120877926
[2-(2-methoxyphenyl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 120733114
(2-fluoro-4-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879020
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120879273
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride
CID 120878917
1-benzofuran-2-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120877663
1-benzothiophen-2-yl-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120878121
(2,4-difluoro-5-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877772
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methyl-2-phenyl-1,3-thiazol-5-yl)methanone;dihydrochloride
CID 120880763
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
(2-chloro-4,5-difluorophenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone;hydrochloride
CID 120878629
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone;hydrochloride
CID 120878269

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride?
The IUPAC name of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride (CID 120880759) is [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride.
What is the SMILES notation for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride?
The canonical SMILES for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride is Cc1cc(C(=O)N2CCNCC2c2nccn2C)c2ccccc2n1.Cl.Cl.
What is the InChIKey of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride?
The InChIKey is SOMJPOVOARJKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O.2ClH/c1-13-11-15(14-5-3-4-6-16(14)22-13)19(25)24-10-7-20-12-17(24)18-21-8-9-23(18)2;;/h3-6,8-9,11,17,20H,7,10,12H2,1-2H3;2*1H.
What are the key properties of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride?
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride has a molecular weight of 408.33 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 120880759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).