ethyl 8-methoxy-4-[5-methoxy-6-(2-methoxyphenyl)-3-pyridinyl]quinoline-3-carboxylate

C26H24N2O5 — CID 162650841

IUPACethyl 8-methoxy-4-[5-methoxy-6-(2-methoxyphenyl)-3-pyridinyl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1-c1cnc(-c2ccccc2OC)c(OC)c1
InChIInChI=1S/C26H24N2O5/c1-5-33-26(29)19-15-28-25-18(10-8-12-21(25)31-3)23(19)16-13-22(32-4)24(27-14-16)17-9-6-7-11-20(17)30-2/h6-15H,5H2,1-4H3
InChIKeyOPVAGVCSHQRFGD-UHFFFAOYSA-N
MW444.49 g/mol
LogP5.17
Rot. Bonds7

About ethyl 8-methoxy-4-[5-methoxy-6-(2-methoxyphenyl)-3-pyridinyl]quinoline-3-carboxylate

ethyl 8-methoxy-4-[5-methoxy-6-(2-methoxyphenyl)-3-pyridinyl]quinoline-3-carboxylate (PubChem CID 162650841) has the molecular formula C26H24N2O5 and a molecular weight of 444.49 g/mol. Its IUPAC name is ethyl 8-methoxy-4-[5-methoxy-6-(2-methoxyphenyl)-3-pyridinyl]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-methoxy-4-[5-methoxy-6-(2-methoxyphenyl)-3-pyridinyl]quinoline-3-carboxylate
PubChem CID162650841
Molecular FormulaC26H24N2O5
Molecular Weight444.49 g/mol
Exact Mass444.17
IUPAC Nameethyl 8-methoxy-4-[5-methoxy-6-(2-methoxyphenyl)-3-pyridinyl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1-c1cnc(-c2ccccc2OC)c(OC)c1
InChIInChI=1S/C26H24N2O5/c1-5-33-26(29)19-15-28-25-18(10-8-12-21(25)31-3)23(19)16-13-22(32-4)24(27-14-16)17-9-6-7-11-20(17)30-2/h6-15H,5H2,1-4H3
InChIKeyOPVAGVCSHQRFGD-UHFFFAOYSA-N
XLogP5.17
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.49
LogP ≤ 55.17
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-[5-methoxy-6-(2-methoxyphenyl)-3-pyridinyl]quinoline-3-carboxylate?
The IUPAC name of ethyl 8-methoxy-4-[5-methoxy-6-(2-methoxyphenyl)-3-pyridinyl]quinoline-3-carboxylate (CID 162650841) is ethyl 8-methoxy-4-[5-methoxy-6-(2-methoxyphenyl)-3-pyridinyl]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-methoxy-4-[5-methoxy-6-(2-methoxyphenyl)-3-pyridinyl]quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-methoxy-4-[5-methoxy-6-(2-methoxyphenyl)-3-pyridinyl]quinoline-3-carboxylate is CCOC(=O)c1cnc2c(OC)cccc2c1-c1cnc(-c2ccccc2OC)c(OC)c1.
What is the InChIKey of ethyl 8-methoxy-4-[5-methoxy-6-(2-methoxyphenyl)-3-pyridinyl]quinoline-3-carboxylate?
The InChIKey is OPVAGVCSHQRFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O5/c1-5-33-26(29)19-15-28-25-18(10-8-12-21(25)31-3)23(19)16-13-22(32-4)24(27-14-16)17-9-6-7-11-20(17)30-2/h6-15H,5H2,1-4H3.
What are the key properties of ethyl 8-methoxy-4-[5-methoxy-6-(2-methoxyphenyl)-3-pyridinyl]quinoline-3-carboxylate?
ethyl 8-methoxy-4-[5-methoxy-6-(2-methoxyphenyl)-3-pyridinyl]quinoline-3-carboxylate has a molecular weight of 444.49 g/mol, XLogP of 5.17, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methoxy-4-[5-methoxy-6-(2-methoxyphenyl)-3-pyridinyl]quinoline-3-carboxylate is sourced from PubChem (CID 162650841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).