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

C17H13FN2O2 — CID 53113236

IUPACmethyl 4-(2-fluoroanilino)quinoline-2-carboxylate
SMILESCOC(=O)c1cc(Nc2ccccc2F)c2ccccc2n1
InChIInChI=1S/C17H13FN2O2/c1-22-17(21)16-10-15(11-6-2-4-8-13(11)19-16)20-14-9-5-3-7-12(14)18/h2-10H,1H3,(H,19,20)
InChIKeyLXADTGYWAOFXHI-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.90
Rot. Bonds3

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

methyl 4-(2-fluoroanilino)quinoline-2-carboxylate (PubChem CID 53113236) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is methyl 4-(2-fluoroanilino)quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-fluoroanilino)quinoline-2-carboxylate
PubChem CID53113236
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Namemethyl 4-(2-fluoroanilino)quinoline-2-carboxylate
SMILESCOC(=O)c1cc(Nc2ccccc2F)c2ccccc2n1
InChIInChI=1S/C17H13FN2O2/c1-22-17(21)16-10-15(11-6-2-4-8-13(11)19-16)20-14-9-5-3-7-12(14)18/h2-10H,1H3,(H,19,20)
InChIKeyLXADTGYWAOFXHI-UHFFFAOYSA-N
XLogP3.90
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Neocinchophen
CID 68089
3-(9-Acridinylamino)benzoic acid
CID 149241
9-Acridinecarboxylic acid, methyl ester
CID 21211
Methyl 2-phenyl-4-quinolinecarboxylate
CID 609693
2-Oxo-2-phenylethyl quinoline-2-carboxylate
CID 1158601
Methyl 4-((2,6-dimethylquinolin-4-yl)amino)benzoate hydrochloride
CID 2789795
2-Quinolinecarboxylic acid (1-oxo-1-phenylpropan-2-yl) ester
CID 3151561
Ethyl 3,4-dimethylquinoline-2-carboxylate;hydrochloride
CID 16196364
[2-(Dimethylamino)-2-oxo-1-phenylethyl] quinoline-2-carboxylate
CID 16279786
Methyl 2-propylquinoline-4-carboxylate
CID 841798
Ethyl 3-[[[(2-methyl-4-quinolinyl)amino]carbonyl]amino]benzoate
CID 22745126
Methyl quinoline-2-carboxylate
CID 421738

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-fluoroanilino)quinoline-2-carboxylate?
The IUPAC name of methyl 4-(2-fluoroanilino)quinoline-2-carboxylate (CID 53113236) is methyl 4-(2-fluoroanilino)quinoline-2-carboxylate.
What is the SMILES notation for methyl 4-(2-fluoroanilino)quinoline-2-carboxylate?
The canonical SMILES for methyl 4-(2-fluoroanilino)quinoline-2-carboxylate is COC(=O)c1cc(Nc2ccccc2F)c2ccccc2n1.
What is the InChIKey of methyl 4-(2-fluoroanilino)quinoline-2-carboxylate?
The InChIKey is LXADTGYWAOFXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c1-22-17(21)16-10-15(11-6-2-4-8-13(11)19-16)20-14-9-5-3-7-12(14)18/h2-10H,1H3,(H,19,20).
What are the key properties of methyl 4-(2-fluoroanilino)quinoline-2-carboxylate?
methyl 4-(2-fluoroanilino)quinoline-2-carboxylate has a molecular weight of 296.30 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-fluoroanilino)quinoline-2-carboxylate is sourced from PubChem (CID 53113236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).