methyl 2-(2-tert-butylquinolin-6-yl)oxy-2-phenylacetate

C22H23NO3 — CID 20709631

IUPACmethyl 2-(2-tert-butylquinolin-6-yl)oxy-2-phenylacetate
SMILESCOC(=O)C(Oc1ccc2nc(C(C)(C)C)ccc2c1)c1ccccc1
InChIInChI=1S/C22H23NO3/c1-22(2,3)19-13-10-16-14-17(11-12-18(16)23-19)26-20(21(24)25-4)15-8-6-5-7-9-15/h5-14,20H,1-4H3
InChIKeyLFKHUERRVQCDCT-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.83
Rot. Bonds4

About methyl 2-(2-tert-butylquinolin-6-yl)oxy-2-phenylacetate

methyl 2-(2-tert-butylquinolin-6-yl)oxy-2-phenylacetate (PubChem CID 20709631) has the molecular formula C22H23NO3 and a molecular weight of 349.43 g/mol. Its IUPAC name is methyl 2-(2-tert-butylquinolin-6-yl)oxy-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(2-tert-butylquinolin-6-yl)oxy-2-phenylacetate
PubChem CID20709631
Molecular FormulaC22H23NO3
Molecular Weight349.43 g/mol
Exact Mass349.17
IUPAC Namemethyl 2-(2-tert-butylquinolin-6-yl)oxy-2-phenylacetate
SMILESCOC(=O)C(Oc1ccc2nc(C(C)(C)C)ccc2c1)c1ccccc1
InChIInChI=1S/C22H23NO3/c1-22(2,3)19-13-10-16-14-17(11-12-18(16)23-19)26-20(21(24)25-4)15-8-6-5-7-9-15/h5-14,20H,1-4H3
InChIKeyLFKHUERRVQCDCT-UHFFFAOYSA-N
XLogP4.83
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-tert-butylquinolin-6-yl)oxy-2-phenylacetate?
The IUPAC name of methyl 2-(2-tert-butylquinolin-6-yl)oxy-2-phenylacetate (CID 20709631) is methyl 2-(2-tert-butylquinolin-6-yl)oxy-2-phenylacetate.
What is the SMILES notation for methyl 2-(2-tert-butylquinolin-6-yl)oxy-2-phenylacetate?
The canonical SMILES for methyl 2-(2-tert-butylquinolin-6-yl)oxy-2-phenylacetate is COC(=O)C(Oc1ccc2nc(C(C)(C)C)ccc2c1)c1ccccc1.
What is the InChIKey of methyl 2-(2-tert-butylquinolin-6-yl)oxy-2-phenylacetate?
The InChIKey is LFKHUERRVQCDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO3/c1-22(2,3)19-13-10-16-14-17(11-12-18(16)23-19)26-20(21(24)25-4)15-8-6-5-7-9-15/h5-14,20H,1-4H3.
What are the key properties of methyl 2-(2-tert-butylquinolin-6-yl)oxy-2-phenylacetate?
methyl 2-(2-tert-butylquinolin-6-yl)oxy-2-phenylacetate has a molecular weight of 349.43 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-tert-butylquinolin-6-yl)oxy-2-phenylacetate is sourced from PubChem (CID 20709631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).