chempirical

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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

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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

Imiquimod99011-02-653 % similar 2-Chloro-N4-(2-methylpropyl)-3,4-quinolinediamine133860-76-143 % similar 2,4-Dichloroquinazoline607-68-136 % similar 2-Chloro-3-(4-methylpiperazin-1-yl)quinoxaline155584-74-035 % similar 2,3-Dichloroquinoxaline2213-63-035 % similar 4-Chloro-quinazoline5190-68-133 % 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

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