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

C₁₃H₁₅N₃O₂CAS 99009-85-5245.28 g/mol

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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 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

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

1,2-Dinitrobenzene528-29-038 % similar 1,5-Dinitronaphthalene605-71-036 % similar 1-Nitronaphthalene86-57-735 % similar 1-Ethyl-2-nitrobenzene612-22-634 % similar 4-Nitro-1H-indazole2942-40-734 % similar (±)-α-Methyltryptamine299-26-334 % similar 7-Nitro-1H-indole-3-carboxaldehyde10553-14-734 % similar Bis(2-nitrophenyl) disulfide1155-00-633 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-Acetyl-L-tryptophanamide2382-79-8 4-Acetylaminoantipyrine83-15-8

Elsewhere

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