(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-phenoxyacetate

C19H17NO4 — CID 664802

IUPAC(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-phenoxyacetate
SMILESCc1cccc2cc(COC(=O)COc3ccccc3)c(=O)[nH]c12
InChIInChI=1S/C19H17NO4/c1-13-6-5-7-14-10-15(19(22)20-18(13)14)11-24-17(21)12-23-16-8-3-2-4-9-16/h2-10H,11-12H2,1H3,(H,20,22)
InChIKeyAARVRAZYIRDYCJ-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.96
Rot. Bonds5

About (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-phenoxyacetate

(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-phenoxyacetate (PubChem CID 664802) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-phenoxyacetate.

Molecular Properties

Compound Name(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-phenoxyacetate
PubChem CID664802
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-phenoxyacetate
SMILESCc1cccc2cc(COC(=O)COc3ccccc3)c(=O)[nH]c12
InChIInChI=1S/C19H17NO4/c1-13-6-5-7-14-10-15(19(22)20-18(13)14)11-24-17(21)12-23-16-8-3-2-4-9-16/h2-10H,11-12H2,1H3,(H,20,22)
InChIKeyAARVRAZYIRDYCJ-UHFFFAOYSA-N
XLogP2.96
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-phenoxyacetate?
The IUPAC name of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-phenoxyacetate (CID 664802) is (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-phenoxyacetate.
What is the SMILES notation for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-phenoxyacetate?
The canonical SMILES for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-phenoxyacetate is Cc1cccc2cc(COC(=O)COc3ccccc3)c(=O)[nH]c12.
What is the InChIKey of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-phenoxyacetate?
The InChIKey is AARVRAZYIRDYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-13-6-5-7-14-10-15(19(22)20-18(13)14)11-24-17(21)12-23-16-8-3-2-4-9-16/h2-10H,11-12H2,1H3,(H,20,22).
What are the key properties of (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-phenoxyacetate?
(8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-phenoxyacetate has a molecular weight of 323.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-2-oxo-1H-quinolin-3-yl)methyl 2-phenoxyacetate is sourced from PubChem (CID 664802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).