ethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate

C19H15F2NO3 — CID 86296272

IUPACethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OCc3ccc(F)c(F)c3)ccc2c1
InChIInChI=1S/C19H15F2NO3/c1-2-24-19(23)14-8-13-4-5-15(9-18(13)22-10-14)25-11-12-3-6-16(20)17(21)7-12/h3-10H,2,11H2,1H3
InChIKeyMSHSXXNDJMVVQT-UHFFFAOYSA-N
MW343.33 g/mol
LogP4.27
Rot. Bonds5

About ethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate

ethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate (PubChem CID 86296272) has the molecular formula C19H15F2NO3 and a molecular weight of 343.33 g/mol. Its IUPAC name is ethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate
PubChem CID86296272
Molecular FormulaC19H15F2NO3
Molecular Weight343.33 g/mol
Exact Mass343.10
IUPAC Nameethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OCc3ccc(F)c(F)c3)ccc2c1
InChIInChI=1S/C19H15F2NO3/c1-2-24-19(23)14-8-13-4-5-15(9-18(13)22-10-14)25-11-12-3-6-16(20)17(21)7-12/h3-10H,2,11H2,1H3
InChIKeyMSHSXXNDJMVVQT-UHFFFAOYSA-N
XLogP4.27
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate?
The IUPAC name of ethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate (CID 86296272) is ethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate?
The canonical SMILES for ethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate is CCOC(=O)c1cnc2cc(OCc3ccc(F)c(F)c3)ccc2c1.
What is the InChIKey of ethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate?
The InChIKey is MSHSXXNDJMVVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2NO3/c1-2-24-19(23)14-8-13-4-5-15(9-18(13)22-10-14)25-11-12-3-6-16(20)17(21)7-12/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate?
ethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate has a molecular weight of 343.33 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[(3,4-difluorophenyl)methoxy]quinoline-3-carboxylate is sourced from PubChem (CID 86296272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).