[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate

C30H19Cl2NO3 — CID 126185534

IUPAC[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
SMILESO=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C30H19Cl2NO3/c31-21-16-14-20(15-17-21)29(28(34)19-8-2-1-3-9-19)36-30(35)24-18-27(23-11-4-6-12-25(23)32)33-26-13-7-5-10-22(24)26/h1-18,29H/t29-/m1/s1
InChIKeyQJTLMKPFJGZWJH-GDLZYMKVSA-N
MW512.39 g/mol
LogP7.99
Rot. Bonds6

About [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate

[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate (PubChem CID 126185534) has the molecular formula C30H19Cl2NO3 and a molecular weight of 512.39 g/mol. Its IUPAC name is [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
PubChem CID126185534
Molecular FormulaC30H19Cl2NO3
Molecular Weight512.39 g/mol
Exact Mass511.07
IUPAC Name[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
SMILESO=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C30H19Cl2NO3/c31-21-16-14-20(15-17-21)29(28(34)19-8-2-1-3-9-19)36-30(35)24-18-27(23-11-4-6-12-25(23)32)33-26-13-7-5-10-22(24)26/h1-18,29H/t29-/m1/s1
InChIKeyQJTLMKPFJGZWJH-GDLZYMKVSA-N
XLogP7.99
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.39
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-oxo-1-phenylpropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 5182622
[(2S)-1-oxo-1-phenylbutan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126186565
benzhydryl 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126189047
[(1R)-1-(4-nitrophenyl)-2-oxo-2-phenylethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 126178158
(1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 18076503
(2-amino-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 2373664
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 5-chloro-2-hydroxybenzoate
CID 26478361
[2-(2-chlorophenyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126191212
bis[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] benzene-1,3-dicarboxylate
CID 126186651
2-O-[(1S)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 6-O-[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] pyridine-2,6-dicarboxylate
CID 99661934
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 2551522
[(1R)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 135928214

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate?
The IUPAC name of [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate (CID 126185534) is [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate.
What is the SMILES notation for [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate?
The canonical SMILES for [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate is O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate?
The InChIKey is QJTLMKPFJGZWJH-GDLZYMKVSA-N. The full InChI is InChI=1S/C30H19Cl2NO3/c31-21-16-14-20(15-17-21)29(28(34)19-8-2-1-3-9-19)36-30(35)24-18-27(23-11-4-6-12-25(23)32)33-26-13-7-5-10-22(24)26/h1-18,29H/t29-/m1/s1.
What are the key properties of [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate?
[(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate has a molecular weight of 512.39 g/mol, XLogP of 7.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate is sourced from PubChem (CID 126185534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).