72512 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 4 5 6 6 7 7 8 8 9 10 10 11 12 12 13 13 13 14 14 14 15 15 16 16 17 18 19 20 21 21 21 18 21 5 9 22 17 20 5 6 7 8 9 12 10 13 11 14 15 11 17 16 18 23 24 25 26 27 28 29 19 30 20 31 32 19 33 34 35 36 37 1 1 1 1 1 2 1 2 1 1 1 2 1 2 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 2.9788 5.8389 9.6884 6.3356 6.6446 5.3416 7.0048 7.6228 5.0352 7.9829 8.2919 4.66 6.6957 7.9318 4.026 9.3073 8.6679 3.6457 3.3266 10.0103 2 5.8378 4.8578 6.1061 6.5041 7.2854 8.5215 8.1234 7.3422 3.8417 9.4921 8.4695 2.7207 10.6162 2.1271 1.3932 1.8729 -1.5432 1.3037 -1.3408 -0.2295 0.7215 -0.227 -0.9727 0.9294 0.7187 -0.7648 0.1863 -1.0065 -1.9237 1.8805 0.9505 0.4185 -1.5495 -0.7981 0.187 -0.3501 -1.3383 1.9237 -1.594 -1.7322 -2.5134 -2.1153 1.6889 2.4701 2.0721 1.5425 1.0104 -2.1369 0.3187 -0.2189 -0.7314 -1.2112 -1.9451 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 4 4 4 5 6 6 7 8 9 10 10 11 12 15 16 18 5 9 17 20 5 6 7 8 9 12 10 11 15 11 17 16 18 19 20 19 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 387 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B20000000000000000000000000000001600000003C6080000000000058B1FE00001E00100000000C0CC19E063EC6F2C99400A0033467440082882031222008D9203E6C980C26E2C4B19B84302864D011C8E807B0D0F30EC8400340001200009080068000240000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 9-methoxy-5,11-dimethyl-6<I>H</I>-pyrido[4,3-b]carbazole IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazole InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C18H16N2O/c1-10-15-9-19-7-6-13(15)11(2)18-17(10)14-8-12(21-3)4-5-16(14)20-18/h4-9,20H,1-3H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 BKRMCDAOAQWNTG-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 276.126263138 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C18H16N2O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 276.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)OC)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=C2C=CN=CC2=C(C3=C1NC4=C3C=C(C=C4)OC)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 37.9 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 276.126263138 21 0 0 0 0 0 0 0 1 -1