ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate

C20H19NO4 — CID 86296269

IUPACethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OCc3cccc(OC)c3)ccc2c1
InChIInChI=1S/C20H19NO4/c1-3-24-20(22)16-10-15-7-8-18(11-19(15)21-12-16)25-13-14-5-4-6-17(9-14)23-2/h4-12H,3,13H2,1-2H3
InChIKeyTUPQFJFSWTWYII-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.00
Rot. Bonds6

About ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate

ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate (PubChem CID 86296269) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate
PubChem CID86296269
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Nameethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OCc3cccc(OC)c3)ccc2c1
InChIInChI=1S/C20H19NO4/c1-3-24-20(22)16-10-15-7-8-18(11-19(15)21-12-16)25-13-14-5-4-6-17(9-14)23-2/h4-12H,3,13H2,1-2H3
InChIKeyTUPQFJFSWTWYII-UHFFFAOYSA-N
XLogP4.00
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate?
The IUPAC name of ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate (CID 86296269) is ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate?
The canonical SMILES for ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate is CCOC(=O)c1cnc2cc(OCc3cccc(OC)c3)ccc2c1.
What is the InChIKey of ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate?
The InChIKey is TUPQFJFSWTWYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-3-24-20(22)16-10-15-7-8-18(11-19(15)21-12-16)25-13-14-5-4-6-17(9-14)23-2/h4-12H,3,13H2,1-2H3.
What are the key properties of ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate?
ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[(3-methoxyphenyl)methoxy]quinoline-3-carboxylate is sourced from PubChem (CID 86296269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).