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

C18H15NO4 — CID 664071

IUPAC(2-oxo-1H-quinolin-3-yl)methyl 2-phenoxyacetate
SMILESO=C(COc1ccccc1)OCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C18H15NO4/c20-17(12-22-15-7-2-1-3-8-15)23-11-14-10-13-6-4-5-9-16(13)19-18(14)21/h1-10H,11-12H2,(H,19,21)
InChIKeyDWZRWIMHLBSBPP-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.65
Rot. Bonds5

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

(2-oxo-1H-quinolin-3-yl)methyl 2-phenoxyacetate (PubChem CID 664071) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is (2-oxo-1H-quinolin-3-yl)methyl 2-phenoxyacetate.

Molecular Properties

Compound Name(2-oxo-1H-quinolin-3-yl)methyl 2-phenoxyacetate
PubChem CID664071
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name(2-oxo-1H-quinolin-3-yl)methyl 2-phenoxyacetate
SMILESO=C(COc1ccccc1)OCc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C18H15NO4/c20-17(12-22-15-7-2-1-3-8-15)23-11-14-10-13-6-4-5-9-16(13)19-18(14)21/h1-10H,11-12H2,(H,19,21)
InChIKeyDWZRWIMHLBSBPP-UHFFFAOYSA-N
XLogP2.65
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl 2-phenoxyacetate?
The IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl 2-phenoxyacetate (CID 664071) is (2-oxo-1H-quinolin-3-yl)methyl 2-phenoxyacetate.
What is the SMILES notation for (2-oxo-1H-quinolin-3-yl)methyl 2-phenoxyacetate?
The canonical SMILES for (2-oxo-1H-quinolin-3-yl)methyl 2-phenoxyacetate is O=C(COc1ccccc1)OCc1cc2ccccc2[nH]c1=O.
What is the InChIKey of (2-oxo-1H-quinolin-3-yl)methyl 2-phenoxyacetate?
The InChIKey is DWZRWIMHLBSBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c20-17(12-22-15-7-2-1-3-8-15)23-11-14-10-13-6-4-5-9-16(13)19-18(14)21/h1-10H,11-12H2,(H,19,21).
What are the key properties of (2-oxo-1H-quinolin-3-yl)methyl 2-phenoxyacetate?
(2-oxo-1H-quinolin-3-yl)methyl 2-phenoxyacetate has a molecular weight of 309.32 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1H-quinolin-3-yl)methyl 2-phenoxyacetate is sourced from PubChem (CID 664071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).