[2-(methylamino)-2-oxoethyl] 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]acetate

C21H18ClN3O4 — CID 8544012

IUPAC[2-(methylamino)-2-oxoethyl] 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]acetate
SMILESCNC(=O)COC(=O)CNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C21H18ClN3O4/c1-23-19(26)12-29-20(27)11-24-21(28)16-10-18(13-6-8-14(22)9-7-13)25-17-5-3-2-4-15(16)17/h2-10H,11-12H2,1H3,(H,23,26)(H,24,28)
InChIKeyWHHSCPGFSVMNCV-UHFFFAOYSA-N
MW411.85 g/mol
LogP2.57
Rot. Bonds6

About [2-(methylamino)-2-oxoethyl] 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]acetate

[2-(methylamino)-2-oxoethyl] 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]acetate (PubChem CID 8544012) has the molecular formula C21H18ClN3O4 and a molecular weight of 411.85 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]acetate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]acetate
PubChem CID8544012
Molecular FormulaC21H18ClN3O4
Molecular Weight411.85 g/mol
Exact Mass411.10
IUPAC Name[2-(methylamino)-2-oxoethyl] 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]acetate
SMILESCNC(=O)COC(=O)CNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
InChIInChI=1S/C21H18ClN3O4/c1-23-19(26)12-29-20(27)11-24-21(28)16-10-18(13-6-8-14(22)9-7-13)25-17-5-3-2-4-15(16)17/h2-10H,11-12H2,1H3,(H,23,26)(H,24,28)
InChIKeyWHHSCPGFSVMNCV-UHFFFAOYSA-N
XLogP2.57
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.85
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-(methylamino)-2-oxoethyl] 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]acetate with MolForge

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Related Compounds

[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 9081679
[(2R)-1-amino-1-oxopropan-2-yl] 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]acetate
CID 8544036
2-(4-chlorophenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]quinoline-4-carboxamide
CID 9299791
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]propyl]quinoline-4-carboxamide
CID 5141556
2-(4-chlorophenyl)-N-[3-(2-methoxyethoxy)propyl]quinoline-4-carboxamide
CID 55407847
2-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)quinoline-4-carboxamide
CID 4304622
[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-hydroxyphenyl)quinoline-4-carboxylate
CID 135809736
2-(4-chlorophenyl)-N-(1-hydroxy-3-methoxy-2-methylpropan-2-yl)quinoline-4-carboxamide
CID 146089731
N-[2,2-dimethyl-3-[[2-(4-phenylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-phenylphenyl)quinoline-4-carboxamide
CID 4057293
N-[2,2-dimethyl-3-[[2-(4-methylphenyl)quinoline-4-carbonyl]amino]propyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 2334871
[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 2651071

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]acetate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]acetate (CID 8544012) is [2-(methylamino)-2-oxoethyl] 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]acetate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]acetate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]acetate is CNC(=O)COC(=O)CNC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]acetate?
The InChIKey is WHHSCPGFSVMNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O4/c1-23-19(26)12-29-20(27)11-24-21(28)16-10-18(13-6-8-14(22)9-7-13)25-17-5-3-2-4-15(16)17/h2-10H,11-12H2,1H3,(H,23,26)(H,24,28).
What are the key properties of [2-(methylamino)-2-oxoethyl] 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]acetate?
[2-(methylamino)-2-oxoethyl] 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]acetate has a molecular weight of 411.85 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]acetate is sourced from PubChem (CID 8544012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).