(2,3-dimethyl-6-phenoxyquinolin-4-yl) acetate

C19H17NO3 — CID 58956897

IUPAC(2,3-dimethyl-6-phenoxyquinolin-4-yl) acetate
SMILESCC(=O)Oc1c(C)c(C)nc2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C19H17NO3/c1-12-13(2)20-18-10-9-16(23-15-7-5-4-6-8-15)11-17(18)19(12)22-14(3)21/h4-11H,1-3H3
InChIKeyUGMWQQYKYGGALL-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.57
Rot. Bonds3

About (2,3-dimethyl-6-phenoxyquinolin-4-yl) acetate

(2,3-dimethyl-6-phenoxyquinolin-4-yl) acetate (PubChem CID 58956897) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is (2,3-dimethyl-6-phenoxyquinolin-4-yl) acetate.

Molecular Properties

Compound Name(2,3-dimethyl-6-phenoxyquinolin-4-yl) acetate
PubChem CID58956897
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name(2,3-dimethyl-6-phenoxyquinolin-4-yl) acetate
SMILESCC(=O)Oc1c(C)c(C)nc2ccc(Oc3ccccc3)cc12
InChIInChI=1S/C19H17NO3/c1-12-13(2)20-18-10-9-16(23-15-7-5-4-6-8-15)11-17(18)19(12)22-14(3)21/h4-11H,1-3H3
InChIKeyUGMWQQYKYGGALL-UHFFFAOYSA-N
XLogP4.57
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-6-phenoxyquinolin-4-yl) acetate?
The IUPAC name of (2,3-dimethyl-6-phenoxyquinolin-4-yl) acetate (CID 58956897) is (2,3-dimethyl-6-phenoxyquinolin-4-yl) acetate.
What is the SMILES notation for (2,3-dimethyl-6-phenoxyquinolin-4-yl) acetate?
The canonical SMILES for (2,3-dimethyl-6-phenoxyquinolin-4-yl) acetate is CC(=O)Oc1c(C)c(C)nc2ccc(Oc3ccccc3)cc12.
What is the InChIKey of (2,3-dimethyl-6-phenoxyquinolin-4-yl) acetate?
The InChIKey is UGMWQQYKYGGALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-12-13(2)20-18-10-9-16(23-15-7-5-4-6-8-15)11-17(18)19(12)22-14(3)21/h4-11H,1-3H3.
What are the key properties of (2,3-dimethyl-6-phenoxyquinolin-4-yl) acetate?
(2,3-dimethyl-6-phenoxyquinolin-4-yl) acetate has a molecular weight of 307.35 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-6-phenoxyquinolin-4-yl) acetate is sourced from PubChem (CID 58956897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).