CCNC1=NC2=C(C=C1C)C=C(C=C2)[N+](=O)[O-]
Nom: N-ethyl-3-methyl-6-nitroquinolin-2-amine
SMILES: CCNC1=NC2=C(C=C1C)C=C(C=C2)[N+](=O)[O-]

Molecular Processing

Molecular formula
C12H13N3O2
Molecular weight
231.25
Exact mass
231.1008
XLogP
2.88
TPSA
68.06
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
67.3

Supplementary Information

InChIKey: AZZYZPXULIHPIS-UHFFFAOYSA-N
Synonymes
SCHEMBL5873519AZZYZPXULIHPIS-UHFFFAOYSA-NAKOS012535748N-ethyl-3-methyl-6-nitroquinolin-2-amine
Voir la source →
Impliqué dans 3 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→