3,4-Dihydro-1H-quinoxalin-2-one

C₈H₈N₂OCAS 59564-59-9148.16 g/mol

Open in Covalent MOL file

Amide Lactam Secondary amine

Properties

Molecular formula: C₈H₈N₂O
Molar mass: 148.16 g/mol
Exact mass: 148.0637 Da
logP: 1.05Crippen estimate
Polar surface area: 41.1 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed97.5% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

59564-59-9

SMILES

C1C(=O)NC2=CC=CC=C2N1

InChIKey

HYTIPJFUWHYQON-UHFFFAOYSA-N

InChI

InChI=1S/C8H8N2O/c11-8-5-9-6-3-1-2-4-7(6)10-8/h1-4,9H,5H2,(H,10,11)

Weigh it out

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

Names and synonyms

1 names

2(1H)-Quinoxalinone, 3,4-dihydro-

Work with 3,4-Dihydro-1H-quinoxalin-2-one

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

1,2,3,4-Tetrahydroquinolin-2-one553-03-752 % similar 1,3,4,5-Tetrahydro-2H-1-benzazepin-2-one4424-80-050 % similar 2,3,4,5-Tetrahydro-1H-1-benzazepine-2,5-dione16511-38-948 % similar 2-Chloro-N-(2-chlorophenyl)acetamide3289-76-747 % similar 4-Chloro-1,3-dihydro-2H-indol-2-one20870-77-344 % similar 4-Bromooxindole99365-48-744 % similar 1,2,3,4-Tetrahydroquinoxaline3476-89-944 % similar N-(Chloroacetyl)-2-(trifluoromethyl)aniline3792-04-942 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(1,3-Benzoxazol-2-yl)methanamine101333-98-6 5-(Hydroxymethyl)-1H-benzimidazole106429-29-2 4-Methoxy-1H-pyrrolo(2,3-b)pyridine122379-63-9 7-Methoxy-6-azaindole160590-40-9 5-Methoxy-1H-pyrrolo[2,3-B]pyridine183208-36-8 5-Aminooxindole20876-36-2 5-Aminoisoindolin-1-one222036-66-0 2-Amino-5-methoxybenzonitrile23842-82-2

Elsewhere

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