ethyl 2-(4-methylpiperazin-1-yl)-3-propylquinoline-4-carboxylate

C20H27N3O2 — CID 11221525

IUPACethyl 2-(4-methylpiperazin-1-yl)-3-propylquinoline-4-carboxylate
SMILESCCCc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)OCC
InChIInChI=1S/C20H27N3O2/c1-4-8-16-18(20(24)25-5-2)15-9-6-7-10-17(15)21-19(16)23-13-11-22(3)12-14-23/h6-7,9-10H,4-5,8,11-14H2,1-3H3
InChIKeySRKSNSDIFZUBNH-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.12
Rot. Bonds5

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

ethyl 2-(4-methylpiperazin-1-yl)-3-propylquinoline-4-carboxylate (PubChem CID 11221525) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is ethyl 2-(4-methylpiperazin-1-yl)-3-propylquinoline-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-methylpiperazin-1-yl)-3-propylquinoline-4-carboxylate
PubChem CID11221525
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Nameethyl 2-(4-methylpiperazin-1-yl)-3-propylquinoline-4-carboxylate
SMILESCCCc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)OCC
InChIInChI=1S/C20H27N3O2/c1-4-8-16-18(20(24)25-5-2)15-9-6-7-10-17(15)21-19(16)23-13-11-22(3)12-14-23/h6-7,9-10H,4-5,8,11-14H2,1-3H3
InChIKeySRKSNSDIFZUBNH-UHFFFAOYSA-N
XLogP3.12
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.12
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
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-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
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 2-(4-methylpiperazin-1-yl)-3-propylquinoline-4-carboxylate?
The IUPAC name of ethyl 2-(4-methylpiperazin-1-yl)-3-propylquinoline-4-carboxylate (CID 11221525) is ethyl 2-(4-methylpiperazin-1-yl)-3-propylquinoline-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-methylpiperazin-1-yl)-3-propylquinoline-4-carboxylate?
The canonical SMILES for ethyl 2-(4-methylpiperazin-1-yl)-3-propylquinoline-4-carboxylate is CCCc1c(N2CCN(C)CC2)nc2ccccc2c1C(=O)OCC.
What is the InChIKey of ethyl 2-(4-methylpiperazin-1-yl)-3-propylquinoline-4-carboxylate?
The InChIKey is SRKSNSDIFZUBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-8-16-18(20(24)25-5-2)15-9-6-7-10-17(15)21-19(16)23-13-11-22(3)12-14-23/h6-7,9-10H,4-5,8,11-14H2,1-3H3.
What are the key properties of ethyl 2-(4-methylpiperazin-1-yl)-3-propylquinoline-4-carboxylate?
ethyl 2-(4-methylpiperazin-1-yl)-3-propylquinoline-4-carboxylate has a molecular weight of 341.46 g/mol, XLogP of 3.12, 5 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)-3-propylquinoline-4-carboxylate is sourced from PubChem (CID 11221525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).