(2-oxo-1H-quinolin-3-yl)methyl 2-(4-methoxyphenyl)acetate

C19H17NO4 — CID 664709

IUPAC(2-oxo-1H-quinolin-3-yl)methyl 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCc2cc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C19H17NO4/c1-23-16-8-6-13(7-9-16)10-18(21)24-12-15-11-14-4-2-3-5-17(14)20-19(15)22/h2-9,11H,10,12H2,1H3,(H,20,22)
InChIKeyJXOALXKWNWKANJ-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.82
Rot. Bonds5

About (2-oxo-1H-quinolin-3-yl)methyl 2-(4-methoxyphenyl)acetate

(2-oxo-1H-quinolin-3-yl)methyl 2-(4-methoxyphenyl)acetate (PubChem CID 664709) has the molecular formula C19H17NO4 and a molecular weight of 323.35 g/mol. Its IUPAC name is (2-oxo-1H-quinolin-3-yl)methyl 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name(2-oxo-1H-quinolin-3-yl)methyl 2-(4-methoxyphenyl)acetate
PubChem CID664709
Molecular FormulaC19H17NO4
Molecular Weight323.35 g/mol
Exact Mass323.12
IUPAC Name(2-oxo-1H-quinolin-3-yl)methyl 2-(4-methoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCc2cc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C19H17NO4/c1-23-16-8-6-13(7-9-16)10-18(21)24-12-15-11-14-4-2-3-5-17(14)20-19(15)22/h2-9,11H,10,12H2,1H3,(H,20,22)
InChIKeyJXOALXKWNWKANJ-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
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-(4-methoxyphenyl)acetate?
The IUPAC name of (2-oxo-1H-quinolin-3-yl)methyl 2-(4-methoxyphenyl)acetate (CID 664709) is (2-oxo-1H-quinolin-3-yl)methyl 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for (2-oxo-1H-quinolin-3-yl)methyl 2-(4-methoxyphenyl)acetate?
The canonical SMILES for (2-oxo-1H-quinolin-3-yl)methyl 2-(4-methoxyphenyl)acetate is COc1ccc(CC(=O)OCc2cc3ccccc3[nH]c2=O)cc1.
What is the InChIKey of (2-oxo-1H-quinolin-3-yl)methyl 2-(4-methoxyphenyl)acetate?
The InChIKey is JXOALXKWNWKANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4/c1-23-16-8-6-13(7-9-16)10-18(21)24-12-15-11-14-4-2-3-5-17(14)20-19(15)22/h2-9,11H,10,12H2,1H3,(H,20,22).
What are the key properties of (2-oxo-1H-quinolin-3-yl)methyl 2-(4-methoxyphenyl)acetate?
(2-oxo-1H-quinolin-3-yl)methyl 2-(4-methoxyphenyl)acetate has a molecular weight of 323.35 g/mol, XLogP of 2.82, 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-(4-methoxyphenyl)acetate is sourced from PubChem (CID 664709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).