ethyl 7-[2-(3-chlorophenyl)ethoxy]quinoline-3-carboxylate

C20H18ClNO3 — CID 86301017

IUPACethyl 7-[2-(3-chlorophenyl)ethoxy]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OCCc3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C20H18ClNO3/c1-2-24-20(23)16-11-15-6-7-18(12-19(15)22-13-16)25-9-8-14-4-3-5-17(21)10-14/h3-7,10-13H,2,8-9H2,1H3
InChIKeyQOTILERYKAXPEL-UHFFFAOYSA-N
MW355.82 g/mol
LogP4.69
Rot. Bonds6

About ethyl 7-[2-(3-chlorophenyl)ethoxy]quinoline-3-carboxylate

ethyl 7-[2-(3-chlorophenyl)ethoxy]quinoline-3-carboxylate (PubChem CID 86301017) has the molecular formula C20H18ClNO3 and a molecular weight of 355.82 g/mol. Its IUPAC name is ethyl 7-[2-(3-chlorophenyl)ethoxy]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-[2-(3-chlorophenyl)ethoxy]quinoline-3-carboxylate
PubChem CID86301017
Molecular FormulaC20H18ClNO3
Molecular Weight355.82 g/mol
Exact Mass355.10
IUPAC Nameethyl 7-[2-(3-chlorophenyl)ethoxy]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OCCc3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C20H18ClNO3/c1-2-24-20(23)16-11-15-6-7-18(12-19(15)22-13-16)25-9-8-14-4-3-5-17(21)10-14/h3-7,10-13H,2,8-9H2,1H3
InChIKeyQOTILERYKAXPEL-UHFFFAOYSA-N
XLogP4.69
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.82
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-[2-(3-chlorophenyl)ethoxy]quinoline-3-carboxylate?
The IUPAC name of ethyl 7-[2-(3-chlorophenyl)ethoxy]quinoline-3-carboxylate (CID 86301017) is ethyl 7-[2-(3-chlorophenyl)ethoxy]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-[2-(3-chlorophenyl)ethoxy]quinoline-3-carboxylate?
The canonical SMILES for ethyl 7-[2-(3-chlorophenyl)ethoxy]quinoline-3-carboxylate is CCOC(=O)c1cnc2cc(OCCc3cccc(Cl)c3)ccc2c1.
What is the InChIKey of ethyl 7-[2-(3-chlorophenyl)ethoxy]quinoline-3-carboxylate?
The InChIKey is QOTILERYKAXPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO3/c1-2-24-20(23)16-11-15-6-7-18(12-19(15)22-13-16)25-9-8-14-4-3-5-17(21)10-14/h3-7,10-13H,2,8-9H2,1H3.
What are the key properties of ethyl 7-[2-(3-chlorophenyl)ethoxy]quinoline-3-carboxylate?
ethyl 7-[2-(3-chlorophenyl)ethoxy]quinoline-3-carboxylate has a molecular weight of 355.82 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[2-(3-chlorophenyl)ethoxy]quinoline-3-carboxylate is sourced from PubChem (CID 86301017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).