CAS 93609-84-8|5-Acetyl-8-(benzyloxy)quinolin-2(1H)-one|5-Acetyl-8-(benzyloxy)-1,2-dihydro-2-oxoquinoline|5-acetyl-8-(benzyloxy)-1H-quinolin-2-one|5-acetyl-8-(benzyloxy)-1,2-dihydroquinolin-2-one|1-...

General Information

Structure

Molecular Formula

C₁₈H₁₅NO₃

Molecular Mass

293.3166

Exact Mass

293.10519335

Charge

InChI

InChI=1S/C18H15NO3/c1-12(20)14-7-9-16(18-15(14)8-10-17(21)19-18)22-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,19,21)

InChIKey

MVYPGJMOODJFAZ-UHFFFAOYSA-N

Canonic Smiles

CC(=O)c1ccc(c2c1ccc(=O)[nH]2)OCc1ccccc1

Isomeric Smiles

[nH]1c2c(ccc(c2ccc1=O)C(=O)C)OCc1ccccc1

Calculated Properties

JChem

Acid pKa

12.249276

H Acceptors

H Donor

LogD (pH = 5.5)

2.7215917

LogD (pH = 7.4)

2.721586

Log P

2.7215917

Molar Refractivity

86.7578

Polarizability

31.992966

Polar Surface Area

55.4

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

5-Acetyl-8-(benzyloxy)quinolin-2(1H)-one5-Acetyl-8-(benzyloxy)-1,2-dihydro-2-oxoquinoline1-[8-(Benzyloxy)-1,2-dihydro-2-oxoquinolin-5-yl]ethan-1-one5-acetyl-8-(benzyloxy)-1,2-dihydroquinolin-2-one5-Acetyl-8-(phenylmethoxy)-2-quinolinone5-Acetyl-8-benzyloxy-1H-quinolin-2-one5-Acetyl-8-benzyloxy-2(1H)-quinolinone5-Acetyl-8-(benzyloxy)carbostyril8-(Benzyloxy)-5-(1-oxoethyl)-1H-quinolin-2-one

IUPAC Traditional name

5-acetyl-8-(benzyloxy)-1H-quinolin-2-one

IUPAC name

5-acetyl-8-(benzyloxy)-1,2-dihydroquinolin-2-one

Names and Identifiers

Registration numbers

CAS Number

93609-84-8

MDL Number

MFCD19381743

PubChem CID

13375444