(2-amino-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate

C18H13ClN2O3 — CID 2373664

IUPAC(2-amino-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate
SMILESNC(=O)COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C18H13ClN2O3/c19-14-7-3-1-6-12(14)16-9-13(18(23)24-10-17(20)22)11-5-2-4-8-15(11)21-16/h1-9H,10H2,(H2,20,22)
InChIKeyQJLHQNACSPKPIS-UHFFFAOYSA-N
MW340.77 g/mol
LogP3.20
Rot. Bonds4

About (2-amino-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate

(2-amino-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate (PubChem CID 2373664) has the molecular formula C18H13ClN2O3 and a molecular weight of 340.77 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate
PubChem CID2373664
Molecular FormulaC18H13ClN2O3
Molecular Weight340.77 g/mol
Exact Mass340.06
IUPAC Name(2-amino-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate
SMILESNC(=O)COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12
InChIInChI=1S/C18H13ClN2O3/c19-14-7-3-1-6-12(14)16-9-13(18(23)24-10-17(20)22)11-5-2-4-8-15(11)21-16/h1-9H,10H2,(H2,20,22)
InChIKeyQJLHQNACSPKPIS-UHFFFAOYSA-N
XLogP3.20
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-chlorophenyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126191212
N-(2-amino-2-oxoethoxy)-2-(2-chlorophenyl)quinoline-4-carboxamide
CID 167970107
[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
(1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 18076503
(2-butoxy-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 16569056
benzhydryl 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126189047
[2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 30395614
(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
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 2551522

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate?
The IUPAC name of (2-amino-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate (CID 2373664) is (2-amino-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate.
What is the SMILES notation for (2-amino-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate?
The canonical SMILES for (2-amino-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate is NC(=O)COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12.
What is the InChIKey of (2-amino-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate?
The InChIKey is QJLHQNACSPKPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O3/c19-14-7-3-1-6-12(14)16-9-13(18(23)24-10-17(20)22)11-5-2-4-8-15(11)21-16/h1-9H,10H2,(H2,20,22).
What are the key properties of (2-amino-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate?
(2-amino-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate has a molecular weight of 340.77 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate is sourced from PubChem (CID 2373664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).