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7-(4-Iodobutoxy)-3,4-dihydroquinolin-2-one

7-(4-Iodobutoxy)-3,4-dihydroquinolin-2-one structure

CAS No:
952308-47-3
Formula:
C13H16INO2
Chemical Name:
7-(4-Iodobutoxy)-3,4-dihydroquinolin-2-one
Synonyms:
7-(4-Iodobutoxy)-3,4-dihydroquinolin-2-one;3,4-Dihydro-7-(4-iodobutoxy)-2(1H)-quinolinone;Aripiprazole IMpurity-E;7-(4-iodobutoxy)-3,4-dihydroquinolin-2(1H)-one;7-(4-Iodobutoxy)-3,4-dihydro-2(1H)-quinolinone;Aripiprazole Iodobutoxyquinoline Impurity;Aripiprazole Iodo Impurity;7-(4-iodobutoxy)-3,4-dihydro-1H-quinolin-2-one

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7-(4-Iodobutoxy)-3,4-dihydroquinolin-2-one Basic Attributes

Molecular Weight：

345.18

Exact Mass：

345.02258

UNII：

Q3S8Z29M3S

DSSTox ID：

DTXSID40857873

Characteristics

Density：

1.560±0.06 g/cm3

Boiling Point：

469.3±45.0 °C(Predicted)

PKA：

14.41±0.20

7-(4-Iodobutoxy)-3,4-dihydroquinolin-2-one Use and Manufacturing

An impurity in the synthesis of Aripiprazole (A771000). A degradation product in Aripiprazole tablets.

Computed Properties

Molecular Weight:345.18
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:345.02258
Monoisotopic Mass:345.02258
Topological Polar Surface Area:38.3
Heavy Atom Count:17
Complexity:260
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 7-(4-Iodobutoxy)-3,4-dihydroquinolin-2-one

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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