[2-(methylamino)-2-oxoethyl] 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate

C19H13Cl3N2O3 — CID 16529232

IUPAC[2-(methylamino)-2-oxoethyl] 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate
SMILESCNC(=O)COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc12
InChIInChI=1S/C19H13Cl3N2O3/c1-23-16(25)9-27-19(26)12-8-15(24-14-5-3-2-4-10(12)14)11-6-7-13(20)18(22)17(11)21/h2-8H,9H2,1H3,(H,23,25)
InChIKeyRBGLKWAMHFELBY-UHFFFAOYSA-N
MW423.68 g/mol
LogP4.76
Rot. Bonds4

About [2-(methylamino)-2-oxoethyl] 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate

[2-(methylamino)-2-oxoethyl] 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate (PubChem CID 16529232) has the molecular formula C19H13Cl3N2O3 and a molecular weight of 423.68 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate
PubChem CID16529232
Molecular FormulaC19H13Cl3N2O3
Molecular Weight423.68 g/mol
Exact Mass422.00
IUPAC Name[2-(methylamino)-2-oxoethyl] 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate
SMILESCNC(=O)COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc12
InChIInChI=1S/C19H13Cl3N2O3/c1-23-16(25)9-27-19(26)12-8-15(24-14-5-3-2-4-10(12)14)11-6-7-13(20)18(22)17(11)21/h2-8H,9H2,1H3,(H,23,25)
InChIKeyRBGLKWAMHFELBY-UHFFFAOYSA-N
XLogP4.76
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.68
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate
CID 2370691
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate
CID 2353485
[2-(2-acetylhydrazinyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 8663404
[(1R)-1-cyanoethyl] 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate
CID 7825399
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 9081679
[2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate
CID 23880378
(2-amino-2-oxoethyl) 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 2373664
[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate
CID 4097494
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate
CID 135809736
[2-(2-chlorophenyl)-2-oxoethyl] 2-(2-chlorophenyl)quinoline-4-carboxylate
CID 126191212
[2-(carbamoylamino)-2-oxoethyl] 2-(2,4-dimethylphenyl)quinoline-4-carboxylate
CID 42971764
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-naphthalen-1-ylquinoline-4-carboxylate
CID 23993753

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate (CID 16529232) is [2-(methylamino)-2-oxoethyl] 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate is CNC(=O)COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc12.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate?
The InChIKey is RBGLKWAMHFELBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3N2O3/c1-23-16(25)9-27-19(26)12-8-15(24-14-5-3-2-4-10(12)14)11-6-7-13(20)18(22)17(11)21/h2-8H,9H2,1H3,(H,23,25).
What are the key properties of [2-(methylamino)-2-oxoethyl] 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate?
[2-(methylamino)-2-oxoethyl] 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate has a molecular weight of 423.68 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 2-(2,3,4-trichlorophenyl)quinoline-4-carboxylate is sourced from PubChem (CID 16529232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).