CCN1C2=C(C=CC(=C2)OC)C(=C1C3=CC=C(C=C3)N)C#N
Name: 2-(4-aminophenyl)-1-ethyl-6-methoxyindole-3-carbonitrile
SMILES: CCN1C2=C(C=CC(=C2)OC)C(=C1C3=CC=C(C=C3)N)C#N

Molecular Processing

Molecular formula
C18H17N3O
Molecular weight
291.35
Exact mass
291.1372
XLogP
3.79
TPSA
63.97
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
88.73

Supplementary Information

InChIKey: LZMAQAOQKOBPGN-UHFFFAOYSA-N
Synonyme
SCHEMBL980710CHEMBL2398024LZMAQAOQKOBPGN-UHFFFAOYSA-N2-(4-aminophenyl)-1-ethyl-6-methoxy-1H-indole-3-carbonitrile2-(4-amino-phenyl)-1-ethyl-6-methoxy-1H-indole-3-carbonitrile
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