3-Aminoquinolin-2 (1H) -one

CAT: 0926-FAA87300-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-FAA87300-01Size:1 g

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CAS Number

5873-00-7

MDL Number

MFCD09754189

Smiles

C1=CC=C2C (=C1) C=C (C (=O) N2) N

Molecular Formula

C9H8N2O

Molecular Weight

160.17 g/mol

Controlled

Chemical Information

3-Aminoquinolin-2(1H)-one

CAS Number	5873-00-7
PubChem CID	10103424
IUPAC Name	3-amino-1H-quinolin-2-one
Molecular Formula	C9H8N2O
Molecular Weight	160.17
XLogP	0.9
Topological Polar Surface Area	55.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	235

SMILES

C1=CC=C2C(=C1)C=C(C(=O)N2)N

InChI

InChI=1S/C9H8N2O/c10-7-5-6-3-1-2-4-8(6)11-9(7)12/h1-5H,10H2,(H,11,12)

InChIKey

KWMUSDDZNYHIBR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5873-00-7

CID: 10103424

Formula: C9H8N2O

MW: 160.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	160.17
XLogP3	0.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	160.063662883
Monoisotopic Mass	160.063662883
Topological Polar Surface Area	55.1 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	235
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
LCA31732-01	5-Aminoquinolin-2 (1H) -one
MCA23559	3-Aminoquinolin-2-yl ethyl carbonate
EDA20768-01	6-Aminoquinolin-2-ol
QDA41717-01	3-Aminoquinolin-8-ol
SBA71264	2-Aminoquinolin-4-ol
FEA98517-01	3-Chloropyrazin-2 (1H) -one
AAA93917-01	3-Chloroquinolin-2 (1H) -one
AAA93916-01	3-Bromoquinolin-2 (1H) -one
GCA71702-01	6-Aminoquinolin-4-ol
CRB18962-01	7-Aminoquinolin-4-ol