[2-(2-chlorophenyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate

C24H15Cl2NO3 — CID 126191212

IUPAC[2-(2-chlorophenyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccccc1Cl
InChIInChI=1S/C24H15Cl2NO3/c25-19-10-4-1-8-16(19)22-13-18(15-7-3-6-12-21(15)27-22)24(29)30-14-23(28)17-9-2-5-11-20(17)26/h1-13H,14H2
InChIKeyZEWFOWSCIRHWNU-UHFFFAOYSA-N
MW436.29 g/mol
LogP6.25
Rot. Bonds5

About [2-(2-chlorophenyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate

[2-(2-chlorophenyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate (PubChem CID 126191212) has the molecular formula C24H15Cl2NO3 and a molecular weight of 436.29 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(2-chlorophenyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
PubChem CID126191212
Molecular FormulaC24H15Cl2NO3
Molecular Weight436.29 g/mol
Exact Mass435.04
IUPAC Name[2-(2-chlorophenyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
SMILESO=C(COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccccc1Cl
InChIInChI=1S/C24H15Cl2NO3/c25-19-10-4-1-8-16(19)22-13-18(15-7-3-6-12-21(15)27-22)24(29)30-14-23(28)17-9-2-5-11-20(17)26/h1-13H,14H2
InChIKeyZEWFOWSCIRHWNU-UHFFFAOYSA-N
XLogP6.25
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.29
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 2373664
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 8663404
[2-(diethylamino)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 2092168
(2-butoxy-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 16569056
2-(2-chlorophenyl)-N-[2-[[2-(2-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 4581581
benzhydryl 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126189047
(1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 18076503
[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 30395614
N-(2-amino-2-oxoethoxy)-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 167970107
(4-tert-butyl-2,6-dimethylphenyl)methyl 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 3993982
1,2,4-oxadiazol-3-ylmethyl 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 17493068
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 8648992

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate?
The IUPAC name of [2-(2-chlorophenyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate (CID 126191212) is [2-(2-chlorophenyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate.
What is the SMILES notation for [2-(2-chlorophenyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate?
The canonical SMILES for [2-(2-chlorophenyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate is O=C(COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccccc1Cl.
What is the InChIKey of [2-(2-chlorophenyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate?
The InChIKey is ZEWFOWSCIRHWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl2NO3/c25-19-10-4-1-8-16(19)22-13-18(15-7-3-6-12-21(15)27-22)24(29)30-14-23(28)17-9-2-5-11-20(17)26/h1-13H,14H2.
What are the key properties of [2-(2-chlorophenyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate?
[2-(2-chlorophenyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate has a molecular weight of 436.29 g/mol, XLogP of 6.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-chlorophenyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate is sourced from PubChem (CID 126191212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).