1.0 2026-09-23 07:25:19 UTC 2026-09-23 07:25:19 UTC FDB119993 9H-Pyrido(3,4-b)indole, 1-ethyl-4-methoxy- 1-ethyl-4-methoxy-9H-pyrido[3,4-b]indole C14H14N2O 226.279 226.110613079 1-ethyl-4-methoxy-9H-pyrido[3,4-b]indole 1-ethyl-4-methoxy-9H-pyrido[3,4-b]indole CCC1=NC=C(OC)C2=C1NC1=C2C=CC=C1 InChI=1S/C14H14N2O/c1-3-10-14-13(12(17-2)8-15-10)9-6-4-5-7-11(9)16-14/h4-8,16H,3H2,1-2H3 LWWRUTVIAQDHRE-UHFFFAOYSA-N belongs to the class of organic compounds known as harmala alkaloids. Harmala alkaloids are compounds with a structure based on harmaline, harmine, harmalol, harman or a derivative of those parents. These parents are beta-carbolines, consisting of a pyrimidine fused to the pyrrole moiety of an indole to form a pyrido[3,4-b]indole. Harmala alkaloids Organic compounds Alkaloids and derivatives Harmala alkaloids Aromatic heteropolycyclic compounds Alkyl aryl ethers Azacyclic compounds Benzenoids Beta carbolines Heteroaromatic compounds Hydrocarbon derivatives Indoles Organonitrogen compounds Pyridines and derivatives Pyrroles Alkyl aryl ether Aromatic heteropolycyclic compound Azacycle Benzenoid Beta-carboline Ether Harman Heteroaromatic compound Hydrocarbon derivative Indole Indole or derivatives Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Pyridine Pyridoindole Pyrrole logp 3.78 ALOGPS logs -3.77 ALOGPS solubility 3.81e-02 g/l ALOGPS logp 2.55 ChemAxon pka_strongest_acidic 12.16 ChemAxon pka_strongest_basic 5.28 ChemAxon iupac 1-ethyl-4-methoxy-9H-pyrido[3,4-b]indole ChemAxon average_mass 226.279 ChemAxon mono_mass 226.110613079 ChemAxon smiles CCC1=NC=C(OC)C2=C1NC1=C2C=CC=C1 ChemAxon formula C14H14N2O ChemAxon inchi InChI=1S/C14H14N2O/c1-3-10-14-13(12(17-2)8-15-10)9-6-4-5-7-11(9)16-14/h4-8,16H,3H2,1-2H3 ChemAxon inchikey LWWRUTVIAQDHRE-UHFFFAOYSA-N ChemAxon polar_surface_area 37.91 ChemAxon refractivity 67 ChemAxon polarizability 25.06 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon