[1-(3-chlorophenyl)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate

C23H16ClNO4 — CID 16568855

IUPAC[1-(3-chlorophenyl)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESCC(OC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C23H16ClNO4/c1-14(22(26)15-6-4-7-16(24)12-15)29-23(27)18-13-20(21-10-5-11-28-21)25-19-9-3-2-8-17(18)19/h2-14H,1H3
InChIKeyPOSUTSLTAUCKHY-UHFFFAOYSA-N
MW405.84 g/mol
LogP5.58
Rot. Bonds5

About [1-(3-chlorophenyl)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate

[1-(3-chlorophenyl)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate (PubChem CID 16568855) has the molecular formula C23H16ClNO4 and a molecular weight of 405.84 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
PubChem CID16568855
Molecular FormulaC23H16ClNO4
Molecular Weight405.84 g/mol
Exact Mass405.08
IUPAC Name[1-(3-chlorophenyl)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
SMILESCC(OC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C23H16ClNO4/c1-14(22(26)15-6-4-7-16(24)12-15)29-23(27)18-13-20(21-10-5-11-28-21)25-19-9-3-2-8-17(18)19/h2-14H,1H3
InChIKeyPOSUTSLTAUCKHY-UHFFFAOYSA-N
XLogP5.58
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.84
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate
CID 2511216
[(2S)-1-amino-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7395384
[(2R)-1-(2,4-dichloroanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2364634
[(2S)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 2638176
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825289
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7395378
(1-oxo-1-phenylpropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 5182622
[(2R)-1-oxo-1-phenylpropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 1217833
[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7395388
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 8761815
[(2S)-1-(3-chlorophenyl)-1-oxopropan-2-yl] 2-[4-[(1S,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]phenyl]quinoline-4-carboxylate
CID 98214313
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7825285

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate?
The IUPAC name of [1-(3-chlorophenyl)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate (CID 16568855) is [1-(3-chlorophenyl)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate.
What is the SMILES notation for [1-(3-chlorophenyl)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate?
The canonical SMILES for [1-(3-chlorophenyl)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate is CC(OC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)c1cccc(Cl)c1.
What is the InChIKey of [1-(3-chlorophenyl)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate?
The InChIKey is POSUTSLTAUCKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClNO4/c1-14(22(26)15-6-4-7-16(24)12-15)29-23(27)18-13-20(21-10-5-11-28-21)25-19-9-3-2-8-17(18)19/h2-14H,1H3.
What are the key properties of [1-(3-chlorophenyl)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate?
[1-(3-chlorophenyl)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate has a molecular weight of 405.84 g/mol, XLogP of 5.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate is sourced from PubChem (CID 16568855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).