[1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate

C21H18ClNO3 — CID 55368045

IUPAC[1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate
SMILESCC(OC(=O)CCc1ccc2ccccc2n1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClNO3/c1-14(21(25)16-6-9-17(22)10-7-16)26-20(24)13-12-18-11-8-15-4-2-3-5-19(15)23-18/h2-11,14H,12-13H2,1H3
InChIKeyBQAICYMKUULZHA-UHFFFAOYSA-N
MW367.83 g/mol
LogP4.64
Rot. Bonds6

About [1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate

[1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate (PubChem CID 55368045) has the molecular formula C21H18ClNO3 and a molecular weight of 367.83 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate
PubChem CID55368045
Molecular FormulaC21H18ClNO3
Molecular Weight367.83 g/mol
Exact Mass367.10
IUPAC Name[1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate
SMILESCC(OC(=O)CCc1ccc2ccccc2n1)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H18ClNO3/c1-14(21(25)16-6-9-17(22)10-7-16)26-20(24)13-12-18-11-8-15-4-2-3-5-19(15)23-18/h2-11,14H,12-13H2,1H3
InChIKeyBQAICYMKUULZHA-UHFFFAOYSA-N
XLogP4.64
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(2,3-dichloroanilino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate
CID 55367803
[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate
CID 46811541
[(2S)-1-(3-acetylanilino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate
CID 29486179
[1-(3-methylanilino)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate
CID 46811721
[1-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate
CID 46811609
[1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-(pyrimidin-2-ylamino)propanoate
CID 55998590
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-[(4-chlorobenzoyl)amino]propanoate
CID 8522923
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 8665970
[(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] quinoline-2-carboxylate
CID 802454
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7889617
[1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 46695283
[2-oxo-2-(4-propylphenyl)ethyl] 3-quinolin-2-ylpropanoate
CID 55367871

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate?
The IUPAC name of [1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate (CID 55368045) is [1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate.
What is the SMILES notation for [1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate?
The canonical SMILES for [1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate is CC(OC(=O)CCc1ccc2ccccc2n1)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of [1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate?
The InChIKey is BQAICYMKUULZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClNO3/c1-14(21(25)16-6-9-17(22)10-7-16)26-20(24)13-12-18-11-8-15-4-2-3-5-19(15)23-18/h2-11,14H,12-13H2,1H3.
What are the key properties of [1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate?
[1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate has a molecular weight of 367.83 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-quinolin-2-ylpropanoate is sourced from PubChem (CID 55368045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).