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4-[(1-Methyl-1H-pyrrol-2-yl)methylene]-1,3(2H,4H)-isoquinolinedione

4-[(1-Methyl-1H-pyrrol-2-yl)methylene]-1,3(2H,4H)-isoquinolinedione structure

CAS No:
1104546-89-5
Formula:
C15H12N2O2
Chemical Name:
4-[(1-Methyl-1H-pyrrol-2-yl)methylene]-1,3(2H,4H)-isoquinolinedione
Synonyms:
4-[(1-Methyl-1H-pyrrol-2-yl)methylene]-1,3(2H,4H)-isoquinolinedione;BYK 204165;4-(1-methyl-1H-pyrrol-2-ylmethylene)-4H-isoquinolin-1,3-dione;PARP Inhibitor XIV;4-(1-Methyl-1H-pyrrol-2-ylmethylene)-4H-isoquinoline-1,3-dione;RT-017290;1,3(2H,4H)-Isoquinolinedione, 4-[(1-methyl-1H-pyrrol-2-yl)methylene]-;BYK204165 >=98% (HPLC)

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4-[(1-Methyl-1H-pyrrol-2-yl)methylene]-1,3(2H,4H)-isoquinolinedione Basic Attributes

Molecular Weight：

252.27

Exact Mass：

252.089877630

Characteristics

PSA：

54.59000

XLogP3：

1.84610

Density：

1.27±0.1 g/cm3

Boiling Point：

492.5±45.0 °C(Predicted)

PKA：

9.30±0.20

Safety Information

wgk germany：

hazard class code：

safety instructions：

36/37

Marks：

Computed Properties

Molecular Weight:252.27
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:252.089877630
Monoisotopic Mass:252.089877630
Topological Polar Surface Area:51.1
Heavy Atom Count:19
Complexity:430
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[(1-Methyl-1H-pyrrol-2-yl)methylene]-1,3(2H,4H)-isoquinolinedione

Basic Attributes
Characteristics
Safety Information
Computed Properties

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