methyl 8-fluoro-4-(2-fluoroanilino)quinoline-2-carboxylate

C17H12F2N2O2 — CID 53113340

IUPACmethyl 8-fluoro-4-(2-fluoroanilino)quinoline-2-carboxylate
SMILESCOC(=O)c1cc(Nc2ccccc2F)c2cccc(F)c2n1
InChIInChI=1S/C17H12F2N2O2/c1-23-17(22)15-9-14(20-13-8-3-2-6-11(13)18)10-5-4-7-12(19)16(10)21-15/h2-9H,1H3,(H,20,21)
InChIKeyAVEDPPFJPUYXGQ-UHFFFAOYSA-N
MW314.29 g/mol
LogP4.04
Rot. Bonds3

About methyl 8-fluoro-4-(2-fluoroanilino)quinoline-2-carboxylate

methyl 8-fluoro-4-(2-fluoroanilino)quinoline-2-carboxylate (PubChem CID 53113340) has the molecular formula C17H12F2N2O2 and a molecular weight of 314.29 g/mol. Its IUPAC name is methyl 8-fluoro-4-(2-fluoroanilino)quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-fluoro-4-(2-fluoroanilino)quinoline-2-carboxylate
PubChem CID53113340
Molecular FormulaC17H12F2N2O2
Molecular Weight314.29 g/mol
Exact Mass314.09
IUPAC Namemethyl 8-fluoro-4-(2-fluoroanilino)quinoline-2-carboxylate
SMILESCOC(=O)c1cc(Nc2ccccc2F)c2cccc(F)c2n1
InChIInChI=1S/C17H12F2N2O2/c1-23-17(22)15-9-14(20-13-8-3-2-6-11(13)18)10-5-4-7-12(19)16(10)21-15/h2-9H,1H3,(H,20,21)
InChIKeyAVEDPPFJPUYXGQ-UHFFFAOYSA-N
XLogP4.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 8-fluoro-4-(2-fluoroanilino)quinoline-2-carboxylate?
The IUPAC name of methyl 8-fluoro-4-(2-fluoroanilino)quinoline-2-carboxylate (CID 53113340) is methyl 8-fluoro-4-(2-fluoroanilino)quinoline-2-carboxylate.
What is the SMILES notation for methyl 8-fluoro-4-(2-fluoroanilino)quinoline-2-carboxylate?
The canonical SMILES for methyl 8-fluoro-4-(2-fluoroanilino)quinoline-2-carboxylate is COC(=O)c1cc(Nc2ccccc2F)c2cccc(F)c2n1.
What is the InChIKey of methyl 8-fluoro-4-(2-fluoroanilino)quinoline-2-carboxylate?
The InChIKey is AVEDPPFJPUYXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O2/c1-23-17(22)15-9-14(20-13-8-3-2-6-11(13)18)10-5-4-7-12(19)16(10)21-15/h2-9H,1H3,(H,20,21).
What are the key properties of methyl 8-fluoro-4-(2-fluoroanilino)quinoline-2-carboxylate?
methyl 8-fluoro-4-(2-fluoroanilino)quinoline-2-carboxylate has a molecular weight of 314.29 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-fluoro-4-(2-fluoroanilino)quinoline-2-carboxylate is sourced from PubChem (CID 53113340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).