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58336-33-7 molecular structure
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7-amino-1,2-dihydroquinolin-2-one

ChemBase ID: 287652
Molecular Formular: C9H8N2O
Molecular Mass: 160.17262
Monoisotopic Mass: 160.06366289
SMILES and InChIs

SMILES:
O=c1[nH]c2c(ccc(N)c2)cc1
Canonical SMILES:
Nc1ccc2c(c1)[nH]c(=O)cc2
InChI:
InChI=1S/C9H8N2O/c10-7-3-1-6-2-4-9(12)11-8(6)5-7/h1-5H,10H2,(H,11,12)
InChIKey:
DXKZKYOSLNTYKH-UHFFFAOYSA-N

Cite this record

CBID:287652 http://www.chembase.cn/molecule-287652.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-amino-1,2-dihydroquinolin-2-one
IUPAC Traditional name
7-amino-1H-quinolin-2-one
Synonyms
7-Aminoquinolin-2(1H)-one
7-amino-2(1H)-quinolinone
CAS Number
58336-33-7
MDL Number
MFCD16660969
MFCD18413402
PubChem SID
180673183
PubChem CID
18941542

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 18941542 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.842345  H Acceptors
H Donor LogD (pH = 5.5) 0.76142657 
LogD (pH = 7.4) 0.76813006  Log P 0.7682164 
Molar Refractivity 49.9796 cm3 Polarizability 17.287548 Å3
Polar Surface Area 55.12 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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