[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-(2-chlorophenoxy)acetate

C20H17ClN2O4 — CID 55525762

IUPAC[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-(2-chlorophenoxy)acetate
SMILESCC(OC(=O)COc1ccccc1Cl)C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C20H17ClN2O4/c1-13(27-19(24)12-26-18-10-3-2-7-15(18)21)20(25)23-17-9-4-8-16-14(17)6-5-11-22-16/h2-11,13H,12H2,1H3,(H,23,25)
InChIKeyLDNPUJZETHOQQS-UHFFFAOYSA-N
MW384.82 g/mol
LogP3.84
Rot. Bonds6

About [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-(2-chlorophenoxy)acetate

[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-(2-chlorophenoxy)acetate (PubChem CID 55525762) has the molecular formula C20H17ClN2O4 and a molecular weight of 384.82 g/mol. Its IUPAC name is [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-(2-chlorophenoxy)acetate.

Molecular Properties

Compound Name[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-(2-chlorophenoxy)acetate
PubChem CID55525762
Molecular FormulaC20H17ClN2O4
Molecular Weight384.82 g/mol
Exact Mass384.09
IUPAC Name[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-(2-chlorophenoxy)acetate
SMILESCC(OC(=O)COc1ccccc1Cl)C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C20H17ClN2O4/c1-13(27-19(24)12-26-18-10-3-2-7-15(18)21)20(25)23-17-9-4-8-16-14(17)6-5-11-22-16/h2-11,13H,12H2,1H3,(H,23,25)
InChIKeyLDNPUJZETHOQQS-UHFFFAOYSA-N
XLogP3.84
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 7847270
[1-(2-chloroanilino)-1-oxopropan-2-yl] 2-(2-methylphenoxy)acetate
CID 46620180
[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl] 2-(2-chlorophenoxy)acetate
CID 7847274
[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 8909442
[(2R)-1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 2-(2-propan-2-ylphenoxy)acetate
CID 8938407
[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-(2-nitrophenyl)acetate
CID 55525564
[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] 2-(2-chlorophenoxy)acetate
CID 8908561
[1-(3,5-dichloroanilino)-1-oxopropan-2-yl] 2-(2-chlorophenoxy)acetate
CID 23737319
2-phenoxy-N-quinolin-5-ylpropanamide
CID 18076800
[(2S)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl] 2-(2,6-dimethylphenoxy)acetate
CID 8953446
2-(2-ethylphenoxy)-N-quinolin-5-ylacetamide
CID 2524325
[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate
CID 55525664

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-(2-chlorophenoxy)acetate?
The IUPAC name of [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-(2-chlorophenoxy)acetate (CID 55525762) is [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-(2-chlorophenoxy)acetate.
What is the SMILES notation for [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-(2-chlorophenoxy)acetate?
The canonical SMILES for [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-(2-chlorophenoxy)acetate is CC(OC(=O)COc1ccccc1Cl)C(=O)Nc1cccc2ncccc12.
What is the InChIKey of [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-(2-chlorophenoxy)acetate?
The InChIKey is LDNPUJZETHOQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O4/c1-13(27-19(24)12-26-18-10-3-2-7-15(18)21)20(25)23-17-9-4-8-16-14(17)6-5-11-22-16/h2-11,13H,12H2,1H3,(H,23,25).
What are the key properties of [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-(2-chlorophenoxy)acetate?
[1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-(2-chlorophenoxy)acetate has a molecular weight of 384.82 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(quinolin-5-ylamino)propan-2-yl] 2-(2-chlorophenoxy)acetate is sourced from PubChem (CID 55525762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).