ethyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate

C17H21N3O2 — CID 11197326

IUPACethyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate
SMILESCCOC(=O)c1cc(N2CCN(C)CC2)nc2ccccc12
InChIInChI=1S/C17H21N3O2/c1-3-22-17(21)14-12-16(20-10-8-19(2)9-11-20)18-15-7-5-4-6-13(14)15/h4-7,12H,3,8-11H2,1-2H3
InChIKeyYTEKMHOIDSZTLQ-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.16
Rot. Bonds3

About ethyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate

ethyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate (PubChem CID 11197326) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is ethyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate
PubChem CID11197326
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Nameethyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate
SMILESCCOC(=O)c1cc(N2CCN(C)CC2)nc2ccccc12
InChIInChI=1S/C17H21N3O2/c1-3-22-17(21)14-12-16(20-10-8-19(2)9-11-20)18-15-7-5-4-6-13(14)15/h4-7,12H,3,8-11H2,1-2H3
InChIKeyYTEKMHOIDSZTLQ-UHFFFAOYSA-N
XLogP2.16
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.16
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
Ethyl 2-aminoquinoline-3-carboxylate
CID 283477
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
2-(4-Methyl-piperazin-1-yl)-quinoline-4-carboxylic acid dipropylamide
CID 11485023
[2-(4-Methyl-piperazin-1-yl)-4-phenyl-quinolin-3-yl]-acetic acid ethyl ester
CID 11794706
(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(2-methylpropyl)quinoline-4-carboxylate
CID 44340582

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate?
The IUPAC name of ethyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate (CID 11197326) is ethyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate?
The canonical SMILES for ethyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate is CCOC(=O)c1cc(N2CCN(C)CC2)nc2ccccc12.
What is the InChIKey of ethyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate?
The InChIKey is YTEKMHOIDSZTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-3-22-17(21)14-12-16(20-10-8-19(2)9-11-20)18-15-7-5-4-6-13(14)15/h4-7,12H,3,8-11H2,1-2H3.
What are the key properties of ethyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate?
ethyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate has a molecular weight of 299.37 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate is sourced from PubChem (CID 11197326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).