2-Chloro-N4-(2-methylpropyl)-3,4-quinolinediamine

C13H16ClN3CAS 133860-76-1249.74 g/mol

Open in Covalent MOL file
HNH2NClN
Aryl halidePrimary amineSecondary amine

Properties

Molecular formula
C13H16ClN3
Molar mass
249.74 g/mol
Exact mass
249.1033 Da
Melting point
145–148 °C
logP
3.54Crippen estimate
Polar surface area
50.9 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
133860-76-1
SMILES
CC(C)CNc1c(N)c(Cl)nc2ccccc12
InChIKey
JARNINMUMFRNPS-UHFFFAOYSA-N
InChI
InChI=1S/C13H16ClN3/c1-8(2)7-16-12-9-5-3-4-6-10(9)17-13(14)11(12)15/h3-6,8H,7,15H2,1-2H3,(H,16,17)

Weigh it out

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

Names and synonyms

5 names
  • 3,4-Quinolinediamine, 2-chloro-N4-(2-methylpropyl)-
  • 2-Chloro-N′-(2-methylpropyl)quinoline-3,4-diamine
  • 2-Chloro-3-amino-4-IsobutylAminoQuinoline
  • 2-Chloro-4-N-(2-methylpropyl)quinoline-3,4-diamine
  • 2-Chloro-N4-isobutylquinoline-3,4-diamine

Work with 2-Chloro-N4-(2-methylpropyl)-3,4-quinolinediamine

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-1-isobutyl-1H-imidazo[4,5-c]quinoline99010-64-743 % similar 4-Chloro-2-methylquinazoline6484-24-838 % similar 2,4-Dichloroquinazoline607-68-136 % similar 2-Chloro-3-(4-methylpiperazin-1-yl)quinoxaline155584-74-035 % similar Imiquimod9050-31-135 % similar 2,3-Dichloroquinoxaline2213-63-035 % similar 4-Chloro-2-phenylquinazoline6484-25-933 % similar 9-Chloroacridine1207-69-833 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook