3,4-Dihydro-5-[4-(1-piperidinyl)butoxy]-1(2H)-isoquinolinone
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3,4-Dihydro-5-[4-(1-piperidinyl)butoxy]-1(2H)-isoquinolinone
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CAS No:
129075-73-6
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Formula:
C18H26N2O2
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Chemical Name:
3,4-Dihydro-5-[4-(1-piperidinyl)butoxy]-1(2H)-isoquinolinone
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Synonyms:
1(2H)-Isoquinolinone,3,4-dihydro-5-[4-(1-piperidinyl)butoxy]-;3,4-Dihydro-5-[4-(1-piperidinyl)butoxy]-1(2H)-isoquinolinone;DPQ;3,4-Dihydro-5[4-(piperidinyl)(butoxy)]-(2H)isoquinolone
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CAS No:
3,4-Dihydro-5-[4-(1-piperidinyl)butoxy]-1(2H)-isoquinolinone Basic Attributes
302.41
302.41
5007H57E2L
DTXSID10433229
Characteristics
41.6
2.25
solid
1.096±0.06 g/cm3(Predicted)
107-109°
528.8±50.0 °C(Predicted)
273.6±30.1 °C
1.544
2-8°C
Safety Information
NONH for all modes of transport
3
36/37/38
26-36
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Drug Information
Chemicals and drugs that inhibit the action of POLY(ADP-RIBOSE)POLYMERASES. (See all compounds classified as Poly(ADP-ribose) Polymerase Inhibitors.)
3,4-dihydro-5-(4-(1-piperidinyl)butoxy)-1(2H)-isoquinolinone
3,4-Dihydro-5-[4-(1-piperidinyl)butoxy]-1(2H)-isoquinolinone Use and Manufacturing
Reagent for inhibition of PARP.
Computed Properties
Molecular Weight:302.4
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:302.199428076
Monoisotopic Mass:302.199428076
Topological Polar Surface Area:41.6
Heavy Atom Count:22
Complexity:355
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
3,4-Dihydro-5-[4-(1-piperidinyl)butoxy]-1(2H)-isoquinolinone
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