ethyl 8-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate

C22H24N4O3 — CID 15998972

IUPACethyl 8-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H24N4O3/c1-3-29-22(27)17-15-24-20-16(7-6-8-18(20)28-2)21(17)26-13-11-25(12-14-26)19-9-4-5-10-23-19/h4-10,15H,3,11-14H2,1-2H3
InChIKeyFWMDRVRWLSQQKS-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.14
Rot. Bonds5

About ethyl 8-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate

ethyl 8-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate (PubChem CID 15998972) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is ethyl 8-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate
PubChem CID15998972
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Nameethyl 8-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2ccccn2)CC1
InChIInChI=1S/C22H24N4O3/c1-3-29-22(27)17-15-24-20-16(7-6-8-18(20)28-2)21(17)26-13-11-25(12-14-26)19-9-4-5-10-23-19/h4-10,15H,3,11-14H2,1-2H3
InChIKeyFWMDRVRWLSQQKS-UHFFFAOYSA-N
XLogP3.14
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate?
The IUPAC name of ethyl 8-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate (CID 15998972) is ethyl 8-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate is CCOC(=O)c1cnc2c(OC)cccc2c1N1CCN(c2ccccn2)CC1.
What is the InChIKey of ethyl 8-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate?
The InChIKey is FWMDRVRWLSQQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-3-29-22(27)17-15-24-20-16(7-6-8-18(20)28-2)21(17)26-13-11-25(12-14-26)19-9-4-5-10-23-19/h4-10,15H,3,11-14H2,1-2H3.
What are the key properties of ethyl 8-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate?
ethyl 8-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate has a molecular weight of 392.46 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylate is sourced from PubChem (CID 15998972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).