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3,4-Dihydro-7-(4-hydroxybutoxy)-2(1H)-quinolinone

3,4-Dihydro-7-(4-hydroxybutoxy)-2(1H)-quinolinone structure

CAS No:
889443-20-3
Formula:
C13H17NO3
Chemical Name:
3,4-Dihydro-7-(4-hydroxybutoxy)-2(1H)-quinolinone
Synonyms:
3,4-Dihydro-7-(4-hydroxybutoxy)-2(1H)-quinolinone;7-(4-hydroxybutoxy)-3,4-dihydroquinolin-2(1H)-one;Aripiprazole Related Compound B (25 mg) (7-(4-hydroxy-butoxy)-3,4-dihydroquinolin-2(1H)-one);7-(4-hydroxybutoxy)-3,4-dihydro-1H-quinolin-2-one;Aripiprazole USP Related Compound B;Aripiprazole Impurity N;Aripiprazole Impurity S;Aripiprazole Hydroxybutoxyquinoline Impurity

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3,4-Dihydro-7-(4-hydroxybutoxy)-2(1H)-quinolinone Basic Attributes

Molecular Weight：

235.28

Exact Mass：

235.12084340

DSSTox ID：

DTXSID90747654

Characteristics

PSA：

62.05000

XLogP3：

1.80770

Density：

1.177±0.06 g/cm3

Boiling Point：

465.9±45.0 °C(Predicted)

PKA：

14.41±0.20

3,4-Dihydro-7-(4-hydroxybutoxy)-2(1H)-quinolinone Use and Manufacturing

3,4-Dihydro-7-(4-hydroxybutoxy)-2(1H)-quinolinone is an impurity of the selective dopamine D2-receptor antagonist, Aripiprazole (A771000).

Computed Properties

Molecular Weight:235.28
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:235.12084340
Monoisotopic Mass:235.12084340
Topological Polar Surface Area:58.6
Heavy Atom Count:17
Complexity:257
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3,4-Dihydro-7-(4-hydroxybutoxy)-2(1H)-quinolinone

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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