ethyl 3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate

C18H23N3O2 — CID 11381434

IUPACethyl 3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate
SMILESCCOC(=O)c1c(C)c(N2CCN(C)CC2)nc2ccccc12
InChIInChI=1S/C18H23N3O2/c1-4-23-18(22)16-13(2)17(21-11-9-20(3)10-12-21)19-15-8-6-5-7-14(15)16/h5-8H,4,9-12H2,1-3H3
InChIKeyODFNNOPFLUGCJX-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.47
Rot. Bonds3

About ethyl 3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate

ethyl 3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate (PubChem CID 11381434) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is ethyl 3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate
PubChem CID11381434
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Nameethyl 3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate
SMILESCCOC(=O)c1c(C)c(N2CCN(C)CC2)nc2ccccc12
InChIInChI=1S/C18H23N3O2/c1-4-23-18(22)16-13(2)17(21-11-9-20(3)10-12-21)19-15-8-6-5-7-14(15)16/h5-8H,4,9-12H2,1-3H3
InChIKeyODFNNOPFLUGCJX-UHFFFAOYSA-N
XLogP2.47
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.47
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
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
4-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-3-carboxylic acid phenyl ester
CID 11358905
3-Ethyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid diethylamide
CID 11394108
3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid diethylamide
CID 11739328
[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
(1-Butylpiperidin-4-yl)methyl 2-chloroquinoline-4-carboxylate
CID 145981672

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate?
The IUPAC name of ethyl 3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate (CID 11381434) is ethyl 3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate.
What is the SMILES notation for ethyl 3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate?
The canonical SMILES for ethyl 3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate is CCOC(=O)c1c(C)c(N2CCN(C)CC2)nc2ccccc12.
What is the InChIKey of ethyl 3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate?
The InChIKey is ODFNNOPFLUGCJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-23-18(22)16-13(2)17(21-11-9-20(3)10-12-21)19-15-8-6-5-7-14(15)16/h5-8H,4,9-12H2,1-3H3.
What are the key properties of ethyl 3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate?
ethyl 3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate has a molecular weight of 313.40 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-2-(4-methylpiperazin-1-yl)quinoline-4-carboxylate is sourced from PubChem (CID 11381434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).