[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylquinolin-3-yl)methanone

C19H21N5O — CID 120877926

IUPAC[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylquinolin-3-yl)methanone
SMILESCc1c(C(=O)N2CCNCC2c2nccn2C)cnc2ccccc12
InChIInChI=1S/C19H21N5O/c1-13-14-5-3-4-6-16(14)22-11-15(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
InChIKeyZGNDYQFQRRIABK-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.06
Rot. Bonds2

About [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylquinolin-3-yl)methanone

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylquinolin-3-yl)methanone (PubChem CID 120877926) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylquinolin-3-yl)methanone.

Molecular Properties

Compound Name[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylquinolin-3-yl)methanone
PubChem CID120877926
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylquinolin-3-yl)methanone
SMILESCc1c(C(=O)N2CCNCC2c2nccn2C)cnc2ccccc12
InChIInChI=1S/C19H21N5O/c1-13-14-5-3-4-6-16(14)22-11-15(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
InChIKeyZGNDYQFQRRIABK-UHFFFAOYSA-N
XLogP2.06
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(2-methylquinolin-4-yl)methanone;dihydrochloride
CID 120880759
(4-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120731327
(2,4-difluoro-5-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877772
(2-fluoro-4-methylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120879020
(5-chloro-1-phenylpyrazol-4-yl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 166261409
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylphenyl)methanone
CID 120878912
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methanone;hydrochloride
CID 120878269
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120879273
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120878927
(2,4-dichloro-5-methylsulfanylphenyl)-[2-(1-methylimidazol-2-yl)piperazin-1-yl]methanone
CID 120877708
(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]-(3-methylsulfonylphenyl)methanone
CID 120880628

Frequently Asked Questions

What is the IUPAC name of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylquinolin-3-yl)methanone?
The IUPAC name of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylquinolin-3-yl)methanone (CID 120877926) is [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylquinolin-3-yl)methanone.
What is the SMILES notation for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylquinolin-3-yl)methanone?
The canonical SMILES for [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylquinolin-3-yl)methanone is Cc1c(C(=O)N2CCNCC2c2nccn2C)cnc2ccccc12.
What is the InChIKey of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylquinolin-3-yl)methanone?
The InChIKey is ZGNDYQFQRRIABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-13-14-5-3-4-6-16(14)22-11-15(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.
What are the key properties of [2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylquinolin-3-yl)methanone?
[2-(1-methylimidazol-2-yl)piperazin-1-yl]-(4-methylquinolin-3-yl)methanone has a molecular weight of 335.41 g/mol, XLogP of 2.06, 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]-(4-methylquinolin-3-yl)methanone is sourced from PubChem (CID 120877926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).