4-Amino-7-chloroquinoline

C₉H₇ClN₂CAS 1198-40-9178.62 g/mol

Open in Covalent MOL file

Aryl halide Primary amine

Properties

Molecular formula: C₉H₇ClN₂
Molar mass: 178.62 g/mol
Exact mass: 178.0298 Da
Melting point: 150–152.5 °C
logP: 2.47Crippen estimate
Polar surface area: 38.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed92.9% of notifiers
H319 Causes serious eye irritation97.6% of notifiers

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

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, P501

Identifiers

CAS number

1198-40-9

SMILES

Nc1ccnc2cc(Cl)ccc12

InChIKey

NDRZSRWMMUGOBP-UHFFFAOYSA-N

InChI

InChI=1S/C9H7ClN2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H,(H2,11,12)

Weigh it out

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

Names and synonyms

9 names

4-Quinolinamine, 7-chloro-
Quinoline, 4-amino-7-chloro-
7-Chloro-4-quinolinamine
7-Chloro-4-aminoquinoline
BM 07365
NSC 119495
NSC 13
7-Chloroquinolin-4-amine
(7-Chloroquinolin-4-yl)-amine

Work with 4-Amino-7-chloroquinoline

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

4,7-Dichloroquinoline86-98-663 % similar 7-Chloro-4-hydrazinylquinoline23834-14-262 % similar 4-Amino-7-(trifluoromethyl)quinoline243666-11-754 % similar 6-Chloroquinoxaline5448-43-152 % similar 4,6-Dichloroquinoline4203-18-349 % similar 5-Aminoquinoline611-34-747 % similar 4,4′-(1,3-Propanediyldi-4,1-piperazinediyl)bis[7-chloroquinoline]4085-31-847 % similar 7-Chloroquinoline612-61-346 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(2-Chlorophenyl)imidazole51581-50-1 5-Isoquinolinamine,3-chloro-(9ci)58142-49-7 3-(4-Chlorophenyl)-1H-pyrazole59843-58-2 4-Chloro-2-methylquinazoline6484-24-8

Elsewhere

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