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(3-Methyl-3H-imidazo[4,5-f]quinolin-2-yl)azanyl acetate

(3-Methyl-3H-imidazo[4,5-f]quinolin-2-yl)azanyl acetate structure

CAS No:
115722-78-6
Formula:
C13H12N4O2
Chemical Name:
(3-Methyl-3H-imidazo[4,5-f]quinolin-2-yl)azanyl acetate
Synonyms:
Acetic acid,(3-methyl-3H-imidazo[4,5-f]quinolin-2-yl)azanyl ester;2H-Imidazo[4,5-f]quinolin-2-one,1,3-dihydro-3-methyl-,O-acetyloxime;(3-Methyl-3H-imidazo[4,5-f]quinolin-2-yl)azanyl acetate;N-acetoxy-IQ

Description

2-(acetoxyamino)-3-methylimidazo[4,5-f]quinoline is an imidazoquinoline that is 3H-imidazo[4,5-f]quinoline substituted by a methyl group at position 3 and an acetoxyamino group at position 2. The active metabolite of the dietary carcinogen 3-methyl-3H-imidazo[4,5-f]quinolin-2-amine (IQ). It has a role as a rat metabolite, a human xenobiotic metabolite and a carcinogenic agent. It is an imidazoquinoline and a N-acetoxyarylamine.

(3-Methyl-3H-imidazo[4,5-f]quinolin-2-yl)azanyl acetate Basic Attributes

Molecular Weight：

256.26 g/mol

Exact Mass：

256.26

DSSTox ID：

DTXSID50151177

Characteristics

PSA：

69 Å²

Computed Properties

Molecular Weight:256.26
XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:256.09602564
Monoisotopic Mass:256.09602564
Topological Polar Surface Area:69
Heavy Atom Count:19
Complexity:352
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (3-Methyl-3H-imidazo[4,5-f]quinolin-2-yl)azanyl acetate

Description
Basic Attributes
Characteristics
Computed Properties
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