methyl 6-fluoro-4-[(2-fluorophenyl)methoxy]quinoline-2-carboxylate

C18H13F2NO3 — CID 53113127

IUPACmethyl 6-fluoro-4-[(2-fluorophenyl)methoxy]quinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCc2ccccc2F)c2cc(F)ccc2n1
InChIInChI=1S/C18H13F2NO3/c1-23-18(22)16-9-17(13-8-12(19)6-7-15(13)21-16)24-10-11-4-2-3-5-14(11)20/h2-9H,10H2,1H3
InChIKeyIQHUEFCYUKBVND-UHFFFAOYSA-N
MW329.30 g/mol
LogP3.88
Rot. Bonds4

About methyl 6-fluoro-4-[(2-fluorophenyl)methoxy]quinoline-2-carboxylate

methyl 6-fluoro-4-[(2-fluorophenyl)methoxy]quinoline-2-carboxylate (PubChem CID 53113127) has the molecular formula C18H13F2NO3 and a molecular weight of 329.30 g/mol. Its IUPAC name is methyl 6-fluoro-4-[(2-fluorophenyl)methoxy]quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-fluoro-4-[(2-fluorophenyl)methoxy]quinoline-2-carboxylate
PubChem CID53113127
Molecular FormulaC18H13F2NO3
Molecular Weight329.30 g/mol
Exact Mass329.09
IUPAC Namemethyl 6-fluoro-4-[(2-fluorophenyl)methoxy]quinoline-2-carboxylate
SMILESCOC(=O)c1cc(OCc2ccccc2F)c2cc(F)ccc2n1
InChIInChI=1S/C18H13F2NO3/c1-23-18(22)16-9-17(13-8-12(19)6-7-15(13)21-16)24-10-11-4-2-3-5-14(11)20/h2-9H,10H2,1H3
InChIKeyIQHUEFCYUKBVND-UHFFFAOYSA-N
XLogP3.88
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.30
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-fluoro-4-[(2-fluorophenyl)methoxy]quinoline-2-carboxylate?
The IUPAC name of methyl 6-fluoro-4-[(2-fluorophenyl)methoxy]quinoline-2-carboxylate (CID 53113127) is methyl 6-fluoro-4-[(2-fluorophenyl)methoxy]quinoline-2-carboxylate.
What is the SMILES notation for methyl 6-fluoro-4-[(2-fluorophenyl)methoxy]quinoline-2-carboxylate?
The canonical SMILES for methyl 6-fluoro-4-[(2-fluorophenyl)methoxy]quinoline-2-carboxylate is COC(=O)c1cc(OCc2ccccc2F)c2cc(F)ccc2n1.
What is the InChIKey of methyl 6-fluoro-4-[(2-fluorophenyl)methoxy]quinoline-2-carboxylate?
The InChIKey is IQHUEFCYUKBVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2NO3/c1-23-18(22)16-9-17(13-8-12(19)6-7-15(13)21-16)24-10-11-4-2-3-5-14(11)20/h2-9H,10H2,1H3.
What are the key properties of methyl 6-fluoro-4-[(2-fluorophenyl)methoxy]quinoline-2-carboxylate?
methyl 6-fluoro-4-[(2-fluorophenyl)methoxy]quinoline-2-carboxylate has a molecular weight of 329.30 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-fluoro-4-[(2-fluorophenyl)methoxy]quinoline-2-carboxylate is sourced from PubChem (CID 53113127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).