1,3-Dihydro-3-(3-iodopropyl)-7,8-dimethoxy-2H-3-benzazepin-2-one

C₁₅H₁₈INO₃CAS 148870-57-9387.22 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Amide Ether Lactam

Properties

Molecular formula: C₁₅H₁₈INO₃
Molar mass: 387.22 g/mol
Exact mass: 387.0331 Da
logP: 2.88Crippen estimate
Polar surface area: 38.8 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 5

Identifiers

CAS number

148870-57-9

SMILES

COc1cc2c(cc1OC)CC(=O)N(CCCI)C=C2

InChIKey

VWPSZWNLEFZFQB-UHFFFAOYSA-N

InChI

InChI=1S/C15H18INO3/c1-19-13-8-11-4-7-17(6-3-5-16)15(18)10-12(11)9-14(13)20-2/h4,7-9H,3,5-6,10H2,1-2H3

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Names and synonyms

2 names

2H-3-Benzazepin-2-one, 1,3-dihydro-3-(3-iodopropyl)-7,8-dimethoxy-
7,8-Dimethoxy-3-(3-iodopropyl)-1,3-dihydro-2H-3-benzazepin-2-one

Work with 1,3-Dihydro-3-(3-iodopropyl)-7,8-dimethoxy-2H-3-benzazepin-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

3-(3-Chloropropyl)-1,3-dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one85175-59-377 % similar 1,3-Dihydro-7,8-dimethoxy-2H-3-benzazepin-2-one73942-87-741 % similar Ivabradine155974-00-835 % similar Ivabradine hydrochloride148849-67-634 % similar 3,4-Dihydro-6,7-dimethoxy-1(2H)-naphthalenone13575-75-233 % similar 3-(2,4,5-Trimethoxyphenyl)-2-propenoic acid24160-53-033 % similar 5,6-Dimethoxy-1-indanone2107-69-932 % similar 3,4-Dihydro-6,7-dimethoxyisoquinoline3382-18-132 % similar

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

Elsewhere

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