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

C19H16ClNO3 — CID 86296057

IUPACethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C19H16ClNO3/c1-2-23-19(22)15-9-14-6-7-17(10-18(14)21-11-15)24-12-13-4-3-5-16(20)8-13/h3-11H,2,12H2,1H3
InChIKeyIOZNWXDZZUWDKK-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.64
Rot. Bonds5

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

ethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate (PubChem CID 86296057) has the molecular formula C19H16ClNO3 and a molecular weight of 341.79 g/mol. Its IUPAC name is ethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate
PubChem CID86296057
Molecular FormulaC19H16ClNO3
Molecular Weight341.79 g/mol
Exact Mass341.08
IUPAC Nameethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1
InChIInChI=1S/C19H16ClNO3/c1-2-23-19(22)15-9-14-6-7-17(10-18(14)21-11-15)24-12-13-4-3-5-16(20)8-13/h3-11H,2,12H2,1H3
InChIKeyIOZNWXDZZUWDKK-UHFFFAOYSA-N
XLogP4.64
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate?
The IUPAC name of ethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate (CID 86296057) is ethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate?
The canonical SMILES for ethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate is CCOC(=O)c1cnc2cc(OCc3cccc(Cl)c3)ccc2c1.
What is the InChIKey of ethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate?
The InChIKey is IOZNWXDZZUWDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO3/c1-2-23-19(22)15-9-14-6-7-17(10-18(14)21-11-15)24-12-13-4-3-5-16(20)8-13/h3-11H,2,12H2,1H3.
What are the key properties of ethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate?
ethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate has a molecular weight of 341.79 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[(3-chlorophenyl)methoxy]quinoline-3-carboxylate is sourced from PubChem (CID 86296057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).