4-Chloro-1-isobutyl-1H-imidazo[4,5-c]quinoline

C14H14ClN3CAS 99010-64-7259.74 g/mol

Open in Covalent MOL file
NNClN
Aryl halide

Properties

Molecular formula
C14H14ClN3
Molar mass
259.74 g/mol
Exact mass
259.0876 Da
Melting point
139–140 °C
logP
3.89Crippen estimate
Polar surface area
30.7 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

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
99010-64-7
SMILES
CC(C)Cn1cnc2c(Cl)nc3ccccc3c21
InChIKey
RRCWSLBKLVBFQD-UHFFFAOYSA-N
InChI
InChI=1S/C14H14ClN3/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3

Weigh it out

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

Names and synonyms

3 names
  • 1H-Imidazo[4,5-c]quinoline, 4-chloro-1-(2-methylpropyl)-
  • 4-Chloro-1-(2-methylpropyl)-1H-imidazo[4,5-c]quinoline
  • NSC 672965

Work with 4-Chloro-1-isobutyl-1H-imidazo[4,5-c]quinoline

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

Imiquimod9050-31-171 % similar 1-(2-Methylpropyl)-1H-imidazo[4,5-C]quinoline99010-24-961 % similar Imiquimod99011-02-653 % similar 2-Chloro-N4-(2-methylpropyl)-3,4-quinolinediamine133860-76-143 % 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 2,3-Dichloroquinoxaline2213-63-035 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook