N-(2-Methylpropyl)-3-nitro-4-quinolinamine

C13H15N3O2CAS 99009-85-5245.28 g/mol

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NN+OO−NH
Nitro

Properties

Molecular formula
C13H15N3O2
Molar mass
245.28 g/mol
Exact mass
245.1164 Da
Melting point
119–121 °C
logP
2.63Crippen estimate
Polar surface area
71.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

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

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Identifiers

CAS number
99009-85-5
SMILES
CC(C)CN=c1c([N+](=O)[O-])c[nH]c2ccccc12
InChIKey
CDUWBBGUDMBQDE-UHFFFAOYSA-N
InChI
InChI=1S/C13H15N3O2/c1-9(2)7-15-13-10-5-3-4-6-11(10)14-8-12(13)16(17)18/h3-6,8-9H,7H2,1-2H3,(H,14,15)

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Names and synonyms

3 names
  • 4-Quinolinamine, N-(2-methylpropyl)-3-nitro-
  • 3-Nitro-4-(2-methylpropylamino)quinoline
  • 4-Isobutylamino-3-nitroquinoline

Work with N-(2-Methylpropyl)-3-nitro-4-quinolinamine

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

3-Nitro-4-quinolinol50332-66-653 % similar 4-Nitroindole4769-97-541 % similar 1,4-Dinitronaphthalene6921-26-239 % similar 3-Nitro-7-azaindole23709-47-938 % similar 1,2-Dinitrobenzene528-29-038 % similar 6-Bromo-3-nitro-4-quinolinol853908-50-638 % similar 4-Methyl-1-nitronaphthalene880-93-336 % similar 1,5-Dinitronaphthalene605-71-036 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-(1-Piperazinyl)benzofuran-2-carboxamide183288-46-2 N-Acetyl-L-tryptophanamide2382-79-8 4-Acetylaminoantipyrine83-15-8

Elsewhere

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