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

C22H21ClN2O3 — CID 2092168

IUPAC[2-(diethylamino)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
SMILESCCN(CC)C(=O)COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C22H21ClN2O3/c1-3-25(4-2)21(26)14-28-22(27)17-13-20(16-10-5-7-11-18(16)23)24-19-12-8-6-9-15(17)19/h5-13H,3-4,14H2,1-2H3
InChIKeyLSELPEJEKPBDIM-UHFFFAOYSA-N
MW396.87 g/mol
LogP4.58
Rot. Bonds6

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

[2-(diethylamino)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate (PubChem CID 2092168) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
PubChem CID2092168
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC Name[2-(diethylamino)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
SMILESCCN(CC)C(=O)COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C22H21ClN2O3/c1-3-25(4-2)21(26)14-28-22(27)17-13-20(16-10-5-7-11-18(16)23)24-19-12-8-6-9-15(17)19/h5-13H,3-4,14H2,1-2H3
InChIKeyLSELPEJEKPBDIM-UHFFFAOYSA-N
XLogP4.58
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 30395614
(2-amino-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 2373664
[2-(2-chlorophenyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126191212
2-(2-chlorophenyl)-N-[2-(diethylamino)-2-oxoethyl]-N-methylquinoline-4-carboxamide
CID 31369493
(2-butoxy-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 16569056
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 8663404
(1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 18076503
(4-tert-butyl-2,6-dimethylphenyl)methyl 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 3993982
benzhydryl 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126189047
ethyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate
CID 91689284
[(2S)-1-oxo-1-phenylbutan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126186565
(1-oxo-1-phenylpropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 5182622

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate?
The IUPAC name of [2-(diethylamino)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate (CID 2092168) is [2-(diethylamino)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate is CCN(CC)C(=O)COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate?
The InChIKey is LSELPEJEKPBDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c1-3-25(4-2)21(26)14-28-22(27)17-13-20(16-10-5-7-11-18(16)23)24-19-12-8-6-9-15(17)19/h5-13H,3-4,14H2,1-2H3.
What are the key properties of [2-(diethylamino)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate?
[2-(diethylamino)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate has a molecular weight of 396.87 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate is sourced from PubChem (CID 2092168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).