[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate

C20H19ClN2O5 — CID 18282499

IUPAC[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
SMILESCC(OC(=O)COc1ccc2c(c1)CCC(=O)N2)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C20H19ClN2O5/c1-12(20(26)23-17-5-3-2-4-15(17)21)28-19(25)11-27-14-7-8-16-13(10-14)6-9-18(24)22-16/h2-5,7-8,10,12H,6,9,11H2,1H3,(H,22,24)(H,23,26)
InChIKeyKNGBDHQNSFJGAZ-UHFFFAOYSA-N
MW402.83 g/mol
LogP3.17
Rot. Bonds6

About [1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate

[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate (PubChem CID 18282499) has the molecular formula C20H19ClN2O5 and a molecular weight of 402.83 g/mol. Its IUPAC name is [1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate.

Molecular Properties

Compound Name[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
PubChem CID18282499
Molecular FormulaC20H19ClN2O5
Molecular Weight402.83 g/mol
Exact Mass402.10
IUPAC Name[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
SMILESCC(OC(=O)COc1ccc2c(c1)CCC(=O)N2)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C20H19ClN2O5/c1-12(20(26)23-17-5-3-2-4-15(17)21)28-19(25)11-27-14-7-8-16-13(10-14)6-9-18(24)22-16/h2-5,7-8,10,12H,6,9,11H2,1H3,(H,22,24)(H,23,26)
InChIKeyKNGBDHQNSFJGAZ-UHFFFAOYSA-N
XLogP3.17
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.83
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate with MolForge

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Launch Full Analysis

Related Compounds

[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(4-chloro-3-methylphenoxy)acetate
CID 55418976
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(3-chlorophenoxy)acetate
CID 55422486
2-[[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]amino]-N-propan-2-ylbenzamide
CID 55672954
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate
CID 46620180
[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenoxy)acetate
CID 7709524
[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 2-(4-tert-butylphenoxy)acetate
CID 18266611
[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7846020
methyl 3-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetyl]oxynaphthalene-2-carboxylate
CID 55572616
[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7234990
[1-[(2-chlorophenyl)methylamino]-1-oxopropan-2-yl] 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 18101172
2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]-N-pentan-2-ylacetamide
CID 42939058
[(2R)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 2-(4-fluorophenoxy)acetate
CID 7791474

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate?
The IUPAC name of [1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate (CID 18282499) is [1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate.
What is the SMILES notation for [1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate?
The canonical SMILES for [1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate is CC(OC(=O)COc1ccc2c(c1)CCC(=O)N2)C(=O)Nc1ccccc1Cl.
What is the InChIKey of [1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate?
The InChIKey is KNGBDHQNSFJGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O5/c1-12(20(26)23-17-5-3-2-4-15(17)21)28-19(25)11-27-14-7-8-16-13(10-14)6-9-18(24)22-16/h2-5,7-8,10,12H,6,9,11H2,1H3,(H,22,24)(H,23,26).
What are the key properties of [1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate?
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate has a molecular weight of 402.83 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloroanilino)-1-oxopropan-2-yl] 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate is sourced from PubChem (CID 18282499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).