1(2H)-Isoquinolinone

C9H7NOCAS 491-30-5145.16 g/mol

Open in Covalent MOL file
OHN
Phenol

Properties

Molecular formula
C9H7NO
Molar mass
145.16 g/mol
Exact mass
145.0528 Da
Melting point
212.5 °C
logP
1.94Crippen estimate
Polar surface area
33.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
491-30-5
SMILES
Oc1nccc2ccccc12
InChIKey
VDBNYAPERZTOOF-UHFFFAOYSA-N
InChI
InChI=1S/C9H7NO/c11-9-8-4-2-1-3-7(8)5-6-10-9/h1-6H,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

9 names
  • 1-Oxo-1,2-dihydroisoquinoline
  • 2(1H)-Isoquinolinone
  • NSC 27273
  • 2H-Isoquinolin-1-one
  • 1,2-Dihydroisoquinolin-1-one
  • Isocarbostyril
  • 1(2H)-Isoquinolone
  • 1-Isoquinolinol
  • 1-Hydroxyisoquinoline

Work with 1(2H)-Isoquinolinone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,5-Isoquinolinediol5154-02-955 % similar 1-Bromoisoquinoline1532-71-454 % similar 1-Methylisoquinoline1721-93-354 % similar 1-Chloroisoquinoline19493-44-854 % similar Phenylisoquinoline3297-72-154 % similar 5-Bromo-1(2H)-isoquinolinone190777-77-653 % similar 1-Isoquinolinemethanol27311-63-353 % similar 1-Isoquinolinecarbonitrile1198-30-750 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Indole-4-carboxaldehyde1074-86-8 Indole-7-carboxaldehyde1074-88-0 Indole-5-carboxaldehyde1196-69-6 Indole-6-carboxaldehyde1196-70-9 Quinolinol1321-40-0 4′-Cyanoacetophenone1443-80-7 8-Hydroxyquinoline148-24-3 Isoquinolin-N-oxide1532-72-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook