[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate

C23H16Cl2N2O4 — CID 2364634

IUPAC[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESC[C@@H](OC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H16Cl2N2O4/c1-13(22(28)27-19-9-8-14(24)11-17(19)25)31-23(29)16-12-20(21-7-4-10-30-21)26-18-6-3-2-5-15(16)18/h2-13H,1H3,(H,27,28)/t13-/m1/s1
InChIKeyRCFIWRVGKPYODI-CYBMUJFWSA-N
MW455.30 g/mol
LogP5.99
Rot. Bonds5

About [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate

[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate (PubChem CID 2364634) has the molecular formula C23H16Cl2N2O4 and a molecular weight of 455.30 g/mol. Its IUPAC name is [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
PubChem CID2364634
Molecular FormulaC23H16Cl2N2O4
Molecular Weight455.30 g/mol
Exact Mass454.05
IUPAC Name[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESC[C@@H](OC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C23H16Cl2N2O4/c1-13(22(28)27-19-9-8-14(24)11-17(19)25)31-23(29)16-12-20(21-7-4-10-30-21)26-18-6-3-2-5-15(16)18/h2-13H,1H3,(H,27,28)/t13-/m1/s1
InChIKeyRCFIWRVGKPYODI-CYBMUJFWSA-N
XLogP5.99
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.30
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate with MolForge

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Related Compounds

[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825289
[1-(3-chlorophenyl)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 16568855
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7395378
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 8761815
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxo-1-phenylethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 5061680
[(2S)-1-amino-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7395384
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate
CID 7648331
[1-(2-chloroanilino)-1-oxopropan-2-yl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 46676720
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] furan-2-carboxylate
CID 2386762
[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate
CID 8739128
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2638176
[2-(2-chloroanilino)-2-oxoethyl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2337988

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate?
The IUPAC name of [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate (CID 2364634) is [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate?
The canonical SMILES for [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate is C[C@@H](OC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate?
The InChIKey is RCFIWRVGKPYODI-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H16Cl2N2O4/c1-13(22(28)27-19-9-8-14(24)11-17(19)25)31-23(29)16-12-20(21-7-4-10-30-21)26-18-6-3-2-5-15(16)18/h2-13H,1H3,(H,27,28)/t13-/m1/s1.
What are the key properties of [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate?
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate has a molecular weight of 455.30 g/mol, XLogP of 5.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 2364634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).