ethyl 8-methoxy-4-[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]quinoline-3-carboxylate

C23H26N4O4 — CID 162652806

IUPACethyl 8-methoxy-4-[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2cccnc2OC)CC1
InChIInChI=1S/C23H26N4O4/c1-4-31-23(28)17-15-25-20-16(7-5-9-19(20)29-2)21(17)27-13-11-26(12-14-27)18-8-6-10-24-22(18)30-3/h5-10,15H,4,11-14H2,1-3H3
InChIKeyWORWGXFYNYYZQL-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.15
Rot. Bonds6

About ethyl 8-methoxy-4-[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]quinoline-3-carboxylate

ethyl 8-methoxy-4-[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]quinoline-3-carboxylate (PubChem CID 162652806) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is ethyl 8-methoxy-4-[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-methoxy-4-[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]quinoline-3-carboxylate
PubChem CID162652806
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Nameethyl 8-methoxy-4-[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2cccnc2OC)CC1
InChIInChI=1S/C23H26N4O4/c1-4-31-23(28)17-15-25-20-16(7-5-9-19(20)29-2)21(17)27-13-11-26(12-14-27)18-8-6-10-24-22(18)30-3/h5-10,15H,4,11-14H2,1-3H3
InChIKeyWORWGXFYNYYZQL-UHFFFAOYSA-N
XLogP3.15
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-methoxy-4-[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]quinoline-3-carboxylate?
The IUPAC name of ethyl 8-methoxy-4-[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]quinoline-3-carboxylate (CID 162652806) is ethyl 8-methoxy-4-[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-methoxy-4-[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-methoxy-4-[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]quinoline-3-carboxylate is CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2cccnc2OC)CC1.
What is the InChIKey of ethyl 8-methoxy-4-[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]quinoline-3-carboxylate?
The InChIKey is WORWGXFYNYYZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-4-31-23(28)17-15-25-20-16(7-5-9-19(20)29-2)21(17)27-13-11-26(12-14-27)18-8-6-10-24-22(18)30-3/h5-10,15H,4,11-14H2,1-3H3.
What are the key properties of ethyl 8-methoxy-4-[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]quinoline-3-carboxylate?
ethyl 8-methoxy-4-[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]quinoline-3-carboxylate has a molecular weight of 422.49 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methoxy-4-[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]quinoline-3-carboxylate is sourced from PubChem (CID 162652806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).