6-Methoxyisoquinoline

C10H9NOCAS 52986-70-6159.19 g/mol

Open in Covalent MOL file
ON
Ether

Properties

Molecular formula
C10H9NO
Molar mass
159.19 g/mol
Exact mass
159.0684 Da
logP
2.24Crippen estimate
Polar surface area
22.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
52986-70-6
SMILES
COC1=CC2=C(C=C1)C=NC=C2
InChIKey
XZNUJESLPUNSNO-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO/c1-12-10-3-2-9-7-11-5-4-8(9)6-10/h2-7H,1H3

Weigh it out

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

Work with 6-Methoxyisoquinoline

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

2,6-Dimethoxynaphthalene5486-55-565 % similar 2,7-Dimethoxynaphthalene3469-26-957 % similar β-Naphthol methyl ether93-04-957 % similar 6-Methylisoquinoline42398-73-253 % similar 2-Bromo-6-methoxynaphthalene5111-65-952 % similar 6-Methoxy-2-naphthol5111-66-052 % similar 6-Methoxy-2-naphthaleneboronic acid156641-98-449 % similar 6-Isopropylisoquinoline790304-84-649 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Quinolinemethanol100516-88-9 8-Amino-2-naphthol118-46-7 2-Quinolinemethanol1780-17-2 3-Methylquinoline N-oxide1873-55-8 1-Methylindole-3-carboxaldehyde19012-03-4 Indole-3-acetaldehyde2591-98-2 1-Isoquinolinemethanol27311-63-3 1-Amino-2-naphthol2834-92-6

Elsewhere

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