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

C25H22N2O4 — CID 162657265

IUPACethyl 8-methoxy-4-[6-(2-methoxyphenyl)-3-pyridinyl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1-c1ccc(-c2ccccc2OC)nc1
InChIInChI=1S/C25H22N2O4/c1-4-31-25(28)19-15-27-24-18(9-7-11-22(24)30-3)23(19)16-12-13-20(26-14-16)17-8-5-6-10-21(17)29-2/h5-15H,4H2,1-3H3
InChIKeyHXVCLIPWAMYCGK-UHFFFAOYSA-N
MW414.46 g/mol
LogP5.16
Rot. Bonds6

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

ethyl 8-methoxy-4-[6-(2-methoxyphenyl)-3-pyridinyl]quinoline-3-carboxylate (PubChem CID 162657265) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is ethyl 8-methoxy-4-[6-(2-methoxyphenyl)-3-pyridinyl]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-methoxy-4-[6-(2-methoxyphenyl)-3-pyridinyl]quinoline-3-carboxylate
PubChem CID162657265
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Nameethyl 8-methoxy-4-[6-(2-methoxyphenyl)-3-pyridinyl]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1-c1ccc(-c2ccccc2OC)nc1
InChIInChI=1S/C25H22N2O4/c1-4-31-25(28)19-15-27-24-18(9-7-11-22(24)30-3)23(19)16-12-13-20(26-14-16)17-8-5-6-10-21(17)29-2/h5-15H,4H2,1-3H3
InChIKeyHXVCLIPWAMYCGK-UHFFFAOYSA-N
XLogP5.16
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-methoxy-4-[6-(2-methoxyphenyl)-3-pyridinyl]quinoline-3-carboxylate?
The IUPAC name of ethyl 8-methoxy-4-[6-(2-methoxyphenyl)-3-pyridinyl]quinoline-3-carboxylate (CID 162657265) is ethyl 8-methoxy-4-[6-(2-methoxyphenyl)-3-pyridinyl]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-methoxy-4-[6-(2-methoxyphenyl)-3-pyridinyl]quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-methoxy-4-[6-(2-methoxyphenyl)-3-pyridinyl]quinoline-3-carboxylate is CCOC(=O)c1cnc2c(OC)cccc2c1-c1ccc(-c2ccccc2OC)nc1.
What is the InChIKey of ethyl 8-methoxy-4-[6-(2-methoxyphenyl)-3-pyridinyl]quinoline-3-carboxylate?
The InChIKey is HXVCLIPWAMYCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-4-31-25(28)19-15-27-24-18(9-7-11-22(24)30-3)23(19)16-12-13-20(26-14-16)17-8-5-6-10-21(17)29-2/h5-15H,4H2,1-3H3.
What are the key properties of ethyl 8-methoxy-4-[6-(2-methoxyphenyl)-3-pyridinyl]quinoline-3-carboxylate?
ethyl 8-methoxy-4-[6-(2-methoxyphenyl)-3-pyridinyl]quinoline-3-carboxylate has a molecular weight of 414.46 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methoxy-4-[6-(2-methoxyphenyl)-3-pyridinyl]quinoline-3-carboxylate is sourced from PubChem (CID 162657265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).