[(2S)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] quinoline-8-carboxylate

C19H14ClFN2O3 — CID 9061886

IUPAC[(2S)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] quinoline-8-carboxylate
SMILESC[C@H](OC(=O)c1cccc2cccnc12)C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C19H14ClFN2O3/c1-11(18(24)23-16-8-7-13(20)10-15(16)21)26-19(25)14-6-2-4-12-5-3-9-22-17(12)14/h2-11H,1H3,(H,23,24)/t11-/m0/s1
InChIKeyTYNATGGRKHFOCH-NSHDSACASA-N
MW372.78 g/mol
LogP4.21
Rot. Bonds4

About [(2S)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] quinoline-8-carboxylate

[(2S)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] quinoline-8-carboxylate (PubChem CID 9061886) has the molecular formula C19H14ClFN2O3 and a molecular weight of 372.78 g/mol. Its IUPAC name is [(2S)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] quinoline-8-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] quinoline-8-carboxylate
PubChem CID9061886
Molecular FormulaC19H14ClFN2O3
Molecular Weight372.78 g/mol
Exact Mass372.07
IUPAC Name[(2S)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] quinoline-8-carboxylate
SMILESC[C@H](OC(=O)c1cccc2cccnc12)C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C19H14ClFN2O3/c1-11(18(24)23-16-8-7-13(20)10-15(16)21)26-19(25)14-6-2-4-12-5-3-9-22-17(12)14/h2-11H,1H3,(H,23,24)/t11-/m0/s1
InChIKeyTYNATGGRKHFOCH-NSHDSACASA-N
XLogP4.21
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.78
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] quinoline-8-carboxylate with MolForge

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Related Compounds

[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 3-acetamidonaphthalene-2-carboxylate
CID 55442370
[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] quinoline-8-carboxylate
CID 9061835
[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-methylsulfonylbenzoate
CID 8976552
[(2S)-1-(4-methoxy-2-nitroanilino)-1-oxopropan-2-yl] quinoline-8-carboxylate
CID 9061839
[1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-methylsulfanylpyridine-3-carboxylate
CID 16529625
[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 5-bromo-2-chlorobenzoate
CID 55417719
[(2S)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate
CID 8890043
N-(4-chloro-2-fluorophenyl)-2-quinolin-8-ylacetamide
CID 24663705
[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 2-hydroxy-4-methylbenzoate
CID 8549529
[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 1-benzothiophene-2-carboxylate
CID 8960047
[(2S)-1-oxo-1-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]propan-2-yl] quinoline-8-carboxylate
CID 9061930
[1-(2,4-dichloroanilino)-1-oxopropan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate
CID 16607812

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] quinoline-8-carboxylate?
The IUPAC name of [(2S)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] quinoline-8-carboxylate (CID 9061886) is [(2S)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] quinoline-8-carboxylate.
What is the SMILES notation for [(2S)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] quinoline-8-carboxylate?
The canonical SMILES for [(2S)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] quinoline-8-carboxylate is C[C@H](OC(=O)c1cccc2cccnc12)C(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of [(2S)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] quinoline-8-carboxylate?
The InChIKey is TYNATGGRKHFOCH-NSHDSACASA-N. The full InChI is InChI=1S/C19H14ClFN2O3/c1-11(18(24)23-16-8-7-13(20)10-15(16)21)26-19(25)14-6-2-4-12-5-3-9-22-17(12)14/h2-11H,1H3,(H,23,24)/t11-/m0/s1.
What are the key properties of [(2S)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] quinoline-8-carboxylate?
[(2S)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] quinoline-8-carboxylate has a molecular weight of 372.78 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] quinoline-8-carboxylate is sourced from PubChem (CID 9061886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).