ethyl 2-[5,7-dimethyl-3-(4-methylphenyl)quinolin-2-yl]oxyacetate

C22H23NO3 — CID 21135881

IUPACethyl 2-[5,7-dimethyl-3-(4-methylphenyl)quinolin-2-yl]oxyacetate
SMILESCCOC(=O)COc1nc2cc(C)cc(C)c2cc1-c1ccc(C)cc1
InChIInChI=1S/C22H23NO3/c1-5-25-21(24)13-26-22-19(17-8-6-14(2)7-9-17)12-18-16(4)10-15(3)11-20(18)23-22/h6-12H,5,13H2,1-4H3
InChIKeyNZMBGTYAOPIBCG-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.77
Rot. Bonds5

About ethyl 2-[5,7-dimethyl-3-(4-methylphenyl)quinolin-2-yl]oxyacetate

ethyl 2-[5,7-dimethyl-3-(4-methylphenyl)quinolin-2-yl]oxyacetate (PubChem CID 21135881) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is ethyl 2-[5,7-dimethyl-3-(4-methylphenyl)quinolin-2-yl]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[5,7-dimethyl-3-(4-methylphenyl)quinolin-2-yl]oxyacetate
PubChem CID21135881
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Nameethyl 2-[5,7-dimethyl-3-(4-methylphenyl)quinolin-2-yl]oxyacetate
SMILESCCOC(=O)COc1nc2cc(C)cc(C)c2cc1-c1ccc(C)cc1
InChIInChI=1S/C22H23NO3/c1-5-25-21(24)13-26-22-19(17-8-6-14(2)7-9-17)12-18-16(4)10-15(3)11-20(18)23-22/h6-12H,5,13H2,1-4H3
InChIKeyNZMBGTYAOPIBCG-UHFFFAOYSA-N
XLogP4.77
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5,7-dimethyl-3-(4-methylphenyl)quinolin-2-yl]oxyacetate?
The IUPAC name of ethyl 2-[5,7-dimethyl-3-(4-methylphenyl)quinolin-2-yl]oxyacetate (CID 21135881) is ethyl 2-[5,7-dimethyl-3-(4-methylphenyl)quinolin-2-yl]oxyacetate.
What is the SMILES notation for ethyl 2-[5,7-dimethyl-3-(4-methylphenyl)quinolin-2-yl]oxyacetate?
The canonical SMILES for ethyl 2-[5,7-dimethyl-3-(4-methylphenyl)quinolin-2-yl]oxyacetate is CCOC(=O)COc1nc2cc(C)cc(C)c2cc1-c1ccc(C)cc1.
What is the InChIKey of ethyl 2-[5,7-dimethyl-3-(4-methylphenyl)quinolin-2-yl]oxyacetate?
The InChIKey is NZMBGTYAOPIBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-5-25-21(24)13-26-22-19(17-8-6-14(2)7-9-17)12-18-16(4)10-15(3)11-20(18)23-22/h6-12H,5,13H2,1-4H3.
What are the key properties of ethyl 2-[5,7-dimethyl-3-(4-methylphenyl)quinolin-2-yl]oxyacetate?
ethyl 2-[5,7-dimethyl-3-(4-methylphenyl)quinolin-2-yl]oxyacetate has a molecular weight of 349.43 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5,7-dimethyl-3-(4-methylphenyl)quinolin-2-yl]oxyacetate is sourced from PubChem (CID 21135881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).