ethyl 8-methoxy-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylate

C19H19N3O3 — CID 708698

IUPACethyl 8-methoxy-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1NCc1cccnc1
InChIInChI=1S/C19H19N3O3/c1-3-25-19(23)15-12-22-18-14(7-4-8-16(18)24-2)17(15)21-11-13-6-5-9-20-10-13/h4-10,12H,3,11H2,1-2H3,(H,21,22)
InChIKeyFDRJBILOGUCDCY-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.43
Rot. Bonds6

About ethyl 8-methoxy-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylate

ethyl 8-methoxy-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylate (PubChem CID 708698) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is ethyl 8-methoxy-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 8-methoxy-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylate
PubChem CID708698
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Nameethyl 8-methoxy-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(OC)cccc2c1NCc1cccnc1
InChIInChI=1S/C19H19N3O3/c1-3-25-19(23)15-12-22-18-14(7-4-8-16(18)24-2)17(15)21-11-13-6-5-9-20-10-13/h4-10,12H,3,11H2,1-2H3,(H,21,22)
InChIKeyFDRJBILOGUCDCY-UHFFFAOYSA-N
XLogP3.43
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-methoxy-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylate?
The IUPAC name of ethyl 8-methoxy-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylate (CID 708698) is ethyl 8-methoxy-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylate.
What is the SMILES notation for ethyl 8-methoxy-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylate?
The canonical SMILES for ethyl 8-methoxy-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylate is CCOC(=O)c1cnc2c(OC)cccc2c1NCc1cccnc1.
What is the InChIKey of ethyl 8-methoxy-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylate?
The InChIKey is FDRJBILOGUCDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-3-25-19(23)15-12-22-18-14(7-4-8-16(18)24-2)17(15)21-11-13-6-5-9-20-10-13/h4-10,12H,3,11H2,1-2H3,(H,21,22).
What are the key properties of ethyl 8-methoxy-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylate?
ethyl 8-methoxy-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-methoxy-4-(pyridin-3-ylmethylamino)quinoline-3-carboxylate is sourced from PubChem (CID 708698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).