chempirical

4-Chloro-8-methylquinoline

C10H8ClNCAS 18436-73-2177.63 g/mol

Open in Covalent MOL file
NCl
Aryl halide

Properties

Molecular formula
C10H8ClN
Molar mass
177.63 g/mol
Exact mass
177.0345 Da
logP
3.20Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 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
18436-73-2
SMILES
CC1=C2C(=CC=C1)C(=CC=N2)Cl
InChIKey
PGDPMZFATHZAIQ-UHFFFAOYSA-N
InChI
InChI=1S/C10H8ClN/c1-7-3-2-4-8-9(11)5-6-12-10(7)8/h2-6H,1H3

Weigh it out

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

Work with 4-Chloro-8-methylquinoline

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

4,8-Dichloroquinoline21617-12-966 % similar 4,7-Dichloro-1,10-phenanthroline5394-23-061 % similar 4-Chloro-8-fluoroquinoline63010-72-058 % similar 4-Chloro-2,8-dimethylquinoline32314-39-954 % similar 4-Chloro-8-(trifluoromethyl)quinoline23779-97-753 % similar 5-Methylquinoxaline13708-12-850 % similar 8-Methylquinoline611-32-550 % similar 4-Chloroquinoline611-35-850 % similar

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

Same formula

4-Chloro-6-methylquinoline18436-71-0 8-Chloro-2-methylquinoline3033-82-7 4-Chloro-2-methylquinoline4295-06-1 2-Chloro-6-methylquinoline4295-11-8 5-Chloroquinaldine4964-69-6 7-Chloroquinaldine4965-33-7 1-(4-Chlorophenyl)-1H-pyrrole5044-38-2 2-Chloro-3-methylquinoline57876-69-4

Elsewhere

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