methyl 2-(4-fluoroanilino)quinoline-3-carboxylate

C17H13FN2O2 — CID 134912891

IUPACmethyl 2-(4-fluoroanilino)quinoline-3-carboxylate
SMILESCOC(=O)c1cc2ccccc2nc1Nc1ccc(F)cc1
InChIInChI=1S/C17H13FN2O2/c1-22-17(21)14-10-11-4-2-3-5-15(11)20-16(14)19-13-8-6-12(18)7-9-13/h2-10H,1H3,(H,19,20)
InChIKeyAZRLZOFMLYHXFH-UHFFFAOYSA-N
MW296.30 g/mol
LogP3.90
Rot. Bonds3

About methyl 2-(4-fluoroanilino)quinoline-3-carboxylate

methyl 2-(4-fluoroanilino)quinoline-3-carboxylate (PubChem CID 134912891) has the molecular formula C17H13FN2O2 and a molecular weight of 296.30 g/mol. Its IUPAC name is methyl 2-(4-fluoroanilino)quinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluoroanilino)quinoline-3-carboxylate
PubChem CID134912891
Molecular FormulaC17H13FN2O2
Molecular Weight296.30 g/mol
Exact Mass296.10
IUPAC Namemethyl 2-(4-fluoroanilino)quinoline-3-carboxylate
SMILESCOC(=O)c1cc2ccccc2nc1Nc1ccc(F)cc1
InChIInChI=1S/C17H13FN2O2/c1-22-17(21)14-10-11-4-2-3-5-15(11)20-16(14)19-13-8-6-12(18)7-9-13/h2-10H,1H3,(H,19,20)
InChIKeyAZRLZOFMLYHXFH-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

Ethyl 5-amino-6,7,8,9-tetrahydro-2-methyl-4-phenylbenzo(1,8)naphthyridine-3-carboxylate
CID 6918662
Ethyl 2-amino-5,6,7,8-tetrahydro-3-quinolinecarboxylate
CID 3808295
2-Methylquinoline-3-carboxylic acid ethyl ester
CID 647634
Ethyl 6-fluoro-2-methyl-3-quinolinecarboxylate
CID 663463
Ethyl 2-methyl-4-phenylquinoline-3-carboxylate
CID 710825
Methyl 2-methyl-4-phenyl-3-quinolinecarboxylate
CID 1215170
Ethyl 2-aminoquinoline-3-carboxylate
CID 283477
2-Substituted indole-3-carboxylate, 27d
CID 44158011
4-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-3-carboxylic acid phenyl ester
CID 11358905
Benzyl 2,4-diaminoquinazoline-6-carboxylate
CID 487401
(2,4-Diaminoquinazolin-6-yl)methyl benzoate
CID 487402
Ethyl 5-Amino-2-methyl-6,7,8,9-tetrahydrobenzo(b)(1,8)naphthyridine-3-carboxylate
CID 46861819

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluoroanilino)quinoline-3-carboxylate?
The IUPAC name of methyl 2-(4-fluoroanilino)quinoline-3-carboxylate (CID 134912891) is methyl 2-(4-fluoroanilino)quinoline-3-carboxylate.
What is the SMILES notation for methyl 2-(4-fluoroanilino)quinoline-3-carboxylate?
The canonical SMILES for methyl 2-(4-fluoroanilino)quinoline-3-carboxylate is COC(=O)c1cc2ccccc2nc1Nc1ccc(F)cc1.
What is the InChIKey of methyl 2-(4-fluoroanilino)quinoline-3-carboxylate?
The InChIKey is AZRLZOFMLYHXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O2/c1-22-17(21)14-10-11-4-2-3-5-15(11)20-16(14)19-13-8-6-12(18)7-9-13/h2-10H,1H3,(H,19,20).
What are the key properties of methyl 2-(4-fluoroanilino)quinoline-3-carboxylate?
methyl 2-(4-fluoroanilino)quinoline-3-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 2-(4-fluoroanilino)quinoline-3-carboxylate is sourced from PubChem (CID 134912891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).