Methyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate
Basic information
- CAS
1052406-23-1- Standard SMILES
COC(=O)c1cc(N2CCN(C)CC2)nc2ccccc12- InChIKey
ZMYPZVPBNBTWOI-UHFFFAOYSA-N- Molecular formula
- C16H19N3O2
- Average molar mass
- 285.34 g/mol
- Monoisotopic mass
- 285.14772686
Names & identifiers
- Preferred name
- Methyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate
- IUPAC
- methyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate
- English name
- Methyl 2-(4-methyl-1-piperazinyl)-4-quinolinecarboxylate hydrochloride
- Molecular formula
- C16H19N3O2.ClH
- Molecular weight
- 321.8
Names & synonyms
MLS000676093methyl 2-(4-methyl-1-piperazinyl)-4-quinolinecarboxylate hydrochlorideSMR000296377methyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylateOprea1_135621CHEMBL1623656SCHEMBL28538954BDBM51154cid_2976068ZMYPZVPBNBTWOI-UHFFFAOYSA-NSTK366250AKOS005443214
Show more names
4-Quinolinecarboxylic acid, 2-(4-methyl-1-piperazinyl)-, methyl ester, hydrochloride (1:1)
ST50875619methyl 2-(4-methylpiperazinyl)quinoline-4-carboxylateZ1251207666Methyl 2-(4-methyl-1-piperazinyl)-4-quinolinecarboxylate #2-(4-methylpiperazino)cinchoninic acid methyl ester;hydrochloridemethyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate;hydrochlorideQuinoline-4-carboxylic acid, 2-(4-methyl-1-piperazino)-, methyl ester2-(4-methyl-1-piperazinyl)-4-quinolinecarboxylic acid methyl ester;hydrochloride
Database identifiers
- CAS
1052406-23-1- PubChem CID
- 535595
- ChEMBL
CHEMBL1623656- EC Number
- 143-914-6
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 45.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 369
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Compound notes
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