69193077 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 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 8 8 8 7 7 7 7 7 7 6 6 6 6 6 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 1 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 4 5 5 5 6 6 6 7 8 8 9 10 10 10 11 11 11 12 12 13 13 14 14 15 15 16 17 17 18 19 19 20 21 21 22 22 23 24 25 25 26 27 27 29 29 29 30 30 31 31 31 32 32 32 26 29 28 31 30 32 10 11 14 12 13 41 7 16 21 18 9 23 24 12 33 34 13 35 36 37 38 39 40 15 17 16 18 19 20 42 43 20 44 45 22 24 23 25 27 46 26 47 28 28 48 30 49 50 51 52 53 54 55 56 57 58 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 1 1 1 2 1 2 2 1 1 1 2 1 1 1 1 1 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 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 5.4641 5.4641 2.866 9.7584 9.1152 8.9446 8.1331 8.9561 9.8622 10.4176 8.7776 10.096 8.456 10.08 9.4208 9.7425 11.0609 8.4269 10.7233 11.3825 8.9561 8.0622 8.0622 9.8622 7.1962 6.3301 7.1962 6.3301 4.5981 3.732 5.4641 2 10.8058 10.9611 8.1648 8.7642 10.7087 10.1094 8.0678 7.9124 8.9157 11.4696 8.055 10.9227 11.9906 10.3979 7.1962 7.1962 4.1996 4.9966 4.1306 3.3335 4.8441 5.4641 6.0841 2.31 1.4631 1.69 -1.877 -3.877 -2.377 2.3962 4.2899 -0.8424 -0.2681 -3.9116 -3.3978 3.1482 2.5911 4.095 3.538 1.4493 0.6974 -0.2495 1.2544 0.6816 -0.4444 0.3076 -1.8423 -2.377 -3.377 -2.3562 -1.877 -2.377 -3.877 -3.377 -2.377 -1.877 -4.877 -1.877 2.6647 3.4465 2.4966 1.9712 4.1895 4.7149 4.0214 3.2396 4.877 1.7207 1.1776 -1.0315 0.1867 -2.0441 -1.257 -4.497 -2.8519 -2.8519 -1.402 -1.402 -4.877 -5.497 -4.877 -1.34 -1.567 -2.4139 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 8 8 9 14 14 15 15 16 17 19 21 21 22 22 23 25 26 27 7 16 18 9 23 24 15 17 16 18 19 20 20 22 24 23 25 27 26 28 28 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 594 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 8 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BB0000000000000000000000000000001600000003C7881000000000058B1FE00001E00180000000C0CE19E063EC6F3C80400A20334674400920C2021B2001898A03EFC980D66E2C4F1DB96BC2AE6D819CAE807B0D0B30E20400102040240004080020408048000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-methoxy-6-(2-methoxyethoxy)-4-(4-piperazin-1-ylindazol-1-yl)cinnoline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-methoxy-6-(2-methoxyethoxy)-4-[4-(1-piperazinyl)-1-indazolyl]cinnoline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-methoxy-6-(2-methoxyethoxy)-4-(4-piperazin-1-ylindazol-1-yl)cinnoline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-methoxy-6-(2-methoxyethoxy)-4-(4-piperazin-1-ylindazol-1-yl)cinnoline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-methoxy-6-(2-methoxyethoxy)-4-(4-piperazin-1-ylindazol-1-yl)cinnoline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 7-methoxy-6-(2-methoxyethoxy)-4-(4-piperazinoindazol-1-yl)cinnoline InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C23H26N6O3/c1-30-10-11-32-23-12-16-18(13-22(23)31-2)27-25-15-21(16)29-20-5-3-4-19(17(20)14-26-29)28-8-6-24-7-9-28/h3-5,12-15,24H,6-11H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 SMWOORBCRUEWPI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 1.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 434.20663871 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C23H26N6O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 434.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COCCOC1=C(C=C2C(=C1)C(=CN=N2)N3C4=C(C=N3)C(=CC=C4)N5CCNCC5)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COCCOC1=C(C=C2C(=C1)C(=CN=N2)N3C4=C(C=N3)C(=CC=C4)N5CCNCC5)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 86.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 434.20663871 32 0 0 0 0 0 0 0 1 -1