6-Methoxy-8-nitroquinoline

C₁₀H₈N₂O₃CAS 85-81-4204.19 g/mol

Open in Covalent MOL file

Ether Nitro

Properties

Molecular formula: C₁₀H₈N₂O₃
Molar mass: 204.19 g/mol
Exact mass: 204.0535 Da
Melting point: 159 °C
logP: 2.15Crippen estimate
Polar surface area: 65.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers
H351 Suspected of causing cancer97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

85-81-4

SMILES

COc1cc([N+](=O)[O-])c2ncccc2c1

InChIKey

MIMUSZHMZBJBPO-UHFFFAOYSA-N

InChI

InChI=1S/C10H8N2O3/c1-15-8-5-7-3-2-4-11-10(7)9(6-8)12(13)14/h2-6H,1H3

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

Names and synonyms

3 names

Quinoline, 6-methoxy-8-nitro-
8-Nitro-6-methoxyquinoline
NSC 1883

Reactions

6-METHOXY-8-NITROQUINOLINE (Quinoline, 6-methoxy-8-nitro-)product

Work with 6-Methoxy-8-nitroquinoline

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

8-Nitroquinoline607-35-259 % similar 5-Nitro-1,10-phenanthroline4199-88-657 % similar 2-Methoxy-3-nitropyridine20265-35-456 % similar 6-Methoxy-8-aminoquinoline90-52-856 % similar 3-Methoxy-2-nitropyridine20265-37-652 % similar 1,4-Dimethoxy-2-nitrobenzene89-39-450 % similar 4-Methoxy-1-methyl-2-nitrobenzene17484-36-549 % similar 4-Methoxy-2-nitroaniline96-96-849 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Phenyl-3-carboxy-5-pyrazolone119-18-6 Tyrphostin A46122520-85-8 2-(4-Oxo-3,4-dihydrophthalazin-1-yl)acetic acid25947-11-9 2-Methyl-5-nitro-1H-indole-3-carbaldehyde3558-17-6

Elsewhere

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