[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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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).