ethyl 1-[2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)ethyl]piperazine-2-carboxylate

C20H27N3O4 — CID 59398295

IUPACethyl 1-[2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)ethyl]piperazine-2-carboxylate
SMILESCCOC(=O)C1CNCCN1CCn1c(=O)cc(C)c2ccc(OC)cc21
InChIInChI=1S/C20H27N3O4/c1-4-27-20(25)18-13-21-7-8-22(18)9-10-23-17-12-15(26-3)5-6-16(17)14(2)11-19(23)24/h5-6,11-12,18,21H,4,7-10,13H2,1-3H3
InChIKeyKUAIEZSQBLFHMB-UHFFFAOYSA-N
MW373.45 g/mol
LogP1.16
Rot. Bonds6

About ethyl 1-[2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)ethyl]piperazine-2-carboxylate

ethyl 1-[2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)ethyl]piperazine-2-carboxylate (PubChem CID 59398295) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is ethyl 1-[2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)ethyl]piperazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)ethyl]piperazine-2-carboxylate
PubChem CID59398295
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Nameethyl 1-[2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)ethyl]piperazine-2-carboxylate
SMILESCCOC(=O)C1CNCCN1CCn1c(=O)cc(C)c2ccc(OC)cc21
InChIInChI=1S/C20H27N3O4/c1-4-27-20(25)18-13-21-7-8-22(18)9-10-23-17-12-15(26-3)5-6-16(17)14(2)11-19(23)24/h5-6,11-12,18,21H,4,7-10,13H2,1-3H3
InChIKeyKUAIEZSQBLFHMB-UHFFFAOYSA-N
XLogP1.16
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)ethyl]piperazine-2-carboxylate?
The IUPAC name of ethyl 1-[2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)ethyl]piperazine-2-carboxylate (CID 59398295) is ethyl 1-[2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)ethyl]piperazine-2-carboxylate.
What is the SMILES notation for ethyl 1-[2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)ethyl]piperazine-2-carboxylate?
The canonical SMILES for ethyl 1-[2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)ethyl]piperazine-2-carboxylate is CCOC(=O)C1CNCCN1CCn1c(=O)cc(C)c2ccc(OC)cc21.
What is the InChIKey of ethyl 1-[2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)ethyl]piperazine-2-carboxylate?
The InChIKey is KUAIEZSQBLFHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-4-27-20(25)18-13-21-7-8-22(18)9-10-23-17-12-15(26-3)5-6-16(17)14(2)11-19(23)24/h5-6,11-12,18,21H,4,7-10,13H2,1-3H3.
What are the key properties of ethyl 1-[2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)ethyl]piperazine-2-carboxylate?
ethyl 1-[2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)ethyl]piperazine-2-carboxylate has a molecular weight of 373.45 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(7-methoxy-4-methyl-2-oxoquinolin-1-yl)ethyl]piperazine-2-carboxylate is sourced from PubChem (CID 59398295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).