[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate

C21H23NO4 — CID 8933703

IUPAC[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OCC(=O)N2CCCc3ccccc32)c1C
InChIInChI=1S/C21H23NO4/c1-15-7-5-11-19(16(15)2)25-14-21(24)26-13-20(23)22-12-6-9-17-8-3-4-10-18(17)22/h3-5,7-8,10-11H,6,9,12-14H2,1-2H3
InChIKeyJZBYIEFCAXICIB-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.20
Rot. Bonds5

About [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate (PubChem CID 8933703) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
PubChem CID8933703
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
SMILESCc1cccc(OCC(=O)OCC(=O)N2CCCc3ccccc32)c1C
InChIInChI=1S/C21H23NO4/c1-15-7-5-11-19(16(15)2)25-14-21(24)26-13-20(23)22-12-6-9-17-8-3-4-10-18(17)22/h3-5,7-8,10-11H,6,9,12-14H2,1-2H3
InChIKeyJZBYIEFCAXICIB-UHFFFAOYSA-N
XLogP3.20
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate?
The IUPAC name of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate (CID 8933703) is [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate.
What is the SMILES notation for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate?
The canonical SMILES for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate is Cc1cccc(OCC(=O)OCC(=O)N2CCCc3ccccc32)c1C.
What is the InChIKey of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate?
The InChIKey is JZBYIEFCAXICIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c1-15-7-5-11-19(16(15)2)25-14-21(24)26-13-20(23)22-12-6-9-17-8-3-4-10-18(17)22/h3-5,7-8,10-11H,6,9,12-14H2,1-2H3.
What are the key properties of [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate?
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate has a molecular weight of 353.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate is sourced from PubChem (CID 8933703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).