methyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate;hydrochloride

C16H20ClN3O2 — CID 2976068

IUPACmethyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(N2CCN(C)CC2)nc2ccccc12.Cl
InChIInChI=1S/C16H19N3O2.ClH/c1-18-7-9-19(10-8-18)15-11-13(16(20)21-2)12-5-3-4-6-14(12)17-15;/h3-6,11H,7-10H2,1-2H3;1H
InChIKeyQFSGDTRQMYXQLJ-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.19
Rot. Bonds2

About methyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate;hydrochloride

methyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate;hydrochloride (PubChem CID 2976068) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is methyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate;hydrochloride
PubChem CID2976068
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC Namemethyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(N2CCN(C)CC2)nc2ccccc12.Cl
InChIInChI=1S/C16H19N3O2.ClH/c1-18-7-9-19(10-8-18)15-11-13(16(20)21-2)12-5-3-4-6-14(12)17-15;/h3-6,11H,7-10H2,1-2H3;1H
InChIKeyQFSGDTRQMYXQLJ-UHFFFAOYSA-N
XLogP2.19
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Piperidin-1-yl)quinoline-4-carboxylic acid
CID 230593
2-(Morpholin-4-yl)quinoline-4-carboxylic acid
CID 230788
Methyl 2-phenyl-4-quinolinecarboxylate
CID 609693
2-(4-Methyl-piperazin-1-yl)-quinoline-4-carboxylic acid ethyl ester
CID 11197326
3-Ethyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid ethyl ester
CID 11209620
2-(4-Methyl-piperazin-1-yl)-3-propyl-quinoline-4-carboxylic acid ethyl ester
CID 11221525
3-Methyl-2-piperazin-1-yl-quinoline-4-carboxylic acid ethyl ester
CID 11266542
[3-Methyl-2-(4-methyl-piperazin-1-yl)-quinolin-4-yl]-phenyl-methanone
CID 11290923
4-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-3-carboxylic acid phenyl ester
CID 11358905
3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid ethyl ester
CID 11381434
3-Ethyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid diethylamide
CID 11394108
2-(4-Methyl-piperazin-1-yl)-quinoline-4-carboxylic acid dipropylamide
CID 11485023

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate;hydrochloride?
The IUPAC name of methyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate;hydrochloride (CID 2976068) is methyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate;hydrochloride is COC(=O)c1cc(N2CCN(C)CC2)nc2ccccc12.Cl.
What is the InChIKey of methyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate;hydrochloride?
The InChIKey is QFSGDTRQMYXQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2.ClH/c1-18-7-9-19(10-8-18)15-11-13(16(20)21-2)12-5-3-4-6-14(12)17-15;/h3-6,11H,7-10H2,1-2H3;1H.
What are the key properties of methyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate;hydrochloride?
methyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate;hydrochloride has a molecular weight of 321.81 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate;hydrochloride is sourced from PubChem (CID 2976068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).