1-(5-Chloro-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline

C₁₇H₁₅ClN₂O₄CAS 62206-13-7346.77 g/mol

Open in Covalent MOL file

Aryl halide Ether Imine Nitro

Properties

Molecular formula: C₁₇H₁₅ClN₂O₄
Molar mass: 346.77 g/mol
Exact mass: 346.0720 Da
logP: 3.66Crippen estimate
Polar surface area: 74.0 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

62206-13-7

SMILES

COC1=C(C=C2C(=C1)CCN=C2C3=C(C=CC(=C3)Cl)[N+](=O)[O-])OC

InChIKey

UCWAPLAIZMBGPF-UHFFFAOYSA-N

InChI

InChI=1S/C17H15ClN2O4/c1-23-15-7-10-5-6-19-17(12(10)9-16(15)24-2)13-8-11(18)3-4-14(13)20(21)22/h3-4,7-9H,5-6H2,1-2H3

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Names and synonyms

1 names

1-(5-Chloro-2-nitrophenyl)-3,4-dihydro-6,7-dimethoxyisoquinoline

Work with 1-(5-Chloro-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline

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

4-Chloro-2-methoxy-1-nitrobenzene6627-53-855 % similar 4-Chloro-1-methoxy-2-nitrobenzene89-21-452 % similar Methyl 5-chloro-2-nitrobenzoate51282-49-650 % similar 5-Chloro-2-nitrobenzoic acid2516-95-245 % similar 5-Chloro-2-nitrobenzamide40763-96-045 % similar 4,5-Dimethoxy-2-nitrobenzenemethanol1016-58-643 % similar 2-Nitro-4-chlorobenzoic acid methyl ester42087-80-942 % similar 1-[(3,4-Dimethoxyphenyl)methyl]-3,4-dihydro-6,7-dimethoxyisoquinoline6957-27-342 % similar

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

Elsewhere

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