1.0 2026-09-22 04:59:39 UTC 2026-09-22 04:59:39 UTC FDB117741 Rutaecarpine 3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one C18H13N3O 287.3153 287.105862053 3,13,21-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one rutaecarpine O=C1N2CCC3=C(NC4=CC=CC=C34)C2=NC2=CC=CC=C12 InChI=1S/C18H13N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,19H,9-10H2 ACVGWSKVRYFWRP-UHFFFAOYSA-N belongs to the class of organic compounds known as beta carbolines. Beta carbolines are compounds containing a 9H-pyrido[3,4-b]indole moiety. Beta carbolines Organic compounds Organoheterocyclic compounds Indoles and derivatives Pyridoindoles Aromatic heteropolycyclic compounds 3-alkylindoles Azacyclic compounds Benzenoids Heteroaromatic compounds Hydrocarbon derivatives Lactams Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Pyridines and derivatives Pyridopyrimidines Pyrimidones Pyrroles Quinazolines 3-alkylindole Aromatic heteropolycyclic compound Azacycle Benzenoid Beta-carboline Diazanaphthalene Heteroaromatic compound Hydrocarbon derivative Indole Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyridine Pyridopyrimidine Pyrimidine Pyrimidone Pyrrole Quinazoline Quinazoline alkaloids beta-carbolines logp 2.90 ALOGPS logs -3.67 ALOGPS solubility 6.08e-02 g/l ALOGPS logp 2.91 ChemAxon pka_strongest_acidic 13.44 ChemAxon pka_strongest_basic 2.42 ChemAxon iupac 3,13,21-triazapentacyclo[11.8.0.0²,¹⁰.0⁴,⁹.0¹⁵,²⁰]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one ChemAxon average_mass 287.3153 ChemAxon mono_mass 287.105862053 ChemAxon smiles O=C1N2CCC3=C(NC4=CC=CC=C34)C2=NC2=CC=CC=C12 ChemAxon formula C18H13N3O ChemAxon inchi InChI=1S/C18H13N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(9-10-21(17)18)11-5-1-3-7-14(11)19-16/h1-8,19H,9-10H2 ChemAxon inchikey ACVGWSKVRYFWRP-UHFFFAOYSA-N ChemAxon polar_surface_area 48.46 ChemAxon refractivity 87.23 ChemAxon polarizability 31.6 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 22226 Specdb::CMs 135355 Specdb::CMs 143089 Specdb::MsMs 11579 Specdb::MsMs 11580 Specdb::MsMs 11581 Specdb::MsMs 18251 Specdb::MsMs 18252 Specdb::MsMs 18253 Specdb::MsMs 374713 Specdb::MsMs 451364 Specdb::MsMs 3059371 Specdb::MsMs 3059372 Specdb::MsMs 3059373 Specdb::MsMs 3107348 Specdb::MsMs 3107349 Specdb::MsMs 3107350