2,3,4,5-Tetrahydro-5-methyl-1H-pyrido[4,3-B]indol-1-one

C₁₂H₁₂N₂OCAS 122852-75-9200.24 g/mol

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Properties

Molecular formula: C₁₂H₁₂N₂O
Molar mass: 200.24 g/mol
Exact mass: 200.0950 Da
Melting point: 234–238 °C
logP: 2.04Crippen estimate
Polar surface area: 37.5 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

122852-75-9

SMILES

Cn1c2c(c3ccccc31)C(O)=NCC2

InChIKey

GLHMAFAXJJECMG-UHFFFAOYSA-N

InChI

InChI=1S/C12H12N2O/c1-14-9-5-3-2-4-8(9)11-10(14)6-7-13-12(11)15/h2-5H,6-7H2,1H3,(H,13,15)

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Names and synonyms

1 names

1H-Pyrido[4,3-b]indol-1-one, 2,3,4,5-tetrahydro-5-methyl-

Work with 2,3,4,5-Tetrahydro-5-methyl-1H-pyrido[4,3-B]indol-1-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

1,2,3,9-Tetrahydro-9-methyl-4H-carbazol-4-one27387-31-151 % similar 1,2-Dimethyl-1H-indole-3-carboxylic acid20357-15-743 % similar 3-[(Dimethylamino)methyl]-1,2,3,9-tetrahydro-9-methyl-4H-carbazol-4-one hydrochloride99614-70-741 % similar N-Methylcarbazole1484-12-441 % similar 3,4-Dihydroisoquinolin-1(2H)-one1196-38-940 % similar Ondansetron116002-70-138 % similar Ondansetron99614-02-538 % similar Alosetron122852-42-037 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4,4'-Oxydianiline101-80-4 3,3′-Diaminodiphenyl ether15268-07-2 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxaldehyde22042-79-1 2-Amino-3-benzyloxypyridine24016-03-3 3,4′-Diaminodiphenyl ether2657-87-6 1-(5-Methyl-1-phenyl-1H-pyrazol-4-yl)ethanone6123-63-3

Elsewhere

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