70552703 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 59 8 8 8 8 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 1 1 2 3 3 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 11 12 12 12 13 13 14 15 15 16 16 18 18 19 20 20 20 21 21 21 22 22 22 23 24 25 25 25 26 26 26 27 27 27 28 28 28 29 29 30 14 17 23 58 24 59 12 21 22 10 13 35 11 20 38 9 10 14 11 17 18 19 13 31 32 33 34 15 16 23 17 24 19 36 37 25 26 39 27 40 41 28 42 43 29 30 44 45 46 47 48 49 50 51 52 53 54 55 30 56 57 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 1 2 2 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 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 59 4.666 4.666 2.9176 2.9176 8.1232 6.4144 6.4144 5.5321 5.5321 6.426 6.426 7.2631 7.2746 4.666 3.8 3.8 4.666 7.3321 7.3321 7.2746 8.1117 8.995 2.9061 2.9061 7.2631 8.1464 8.9719 9.8552 2 2 6.6538 7.0443 7.8839 7.4934 5.874 7.8678 7.8678 5.874 6.7341 7.5024 7.8929 9.399 8.602 7.883 7.2559 6.6431 7.8426 8.6869 8.4501 8.6557 9.5052 9.2881 9.539 10.3885 10.1714 1.4643 1.4643 2.3843 2.3843 -0.9901 3.01 -1.0246 3.0445 -3.0445 -1.0246 3.0445 0.5099 1.5099 -0.0247 2.0446 -2.5346 -1.5346 0.0099 0.5099 1.5099 2.01 0.4891 1.5308 3.5545 -4.0445 -2.5546 -0.0247 2.0446 4.5545 3.0646 -4.5545 -3.0646 0.4891 1.5308 -2.4198 -3.1147 -1.6493 -0.9545 -1.3284 0.1771 1.8428 3.3483 3.8583 -3.9298 -4.6246 -2.0843 -2.0751 4.5616 5.1744 4.5473 2.5241 2.7608 3.605 -5.0878 -4.8706 -4.0211 -3.5979 -3.3808 -2.5312 0.1771 1.8428 -1.3408 3.3607 8 8 8 8 8 8 8 8 8 8 8 8 8 8 9 10 11 15 15 16 18 23 24 29 9 10 11 18 19 16 23 24 19 29 30 30 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 609 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B38000000000000000000000000000000000000003060C0000000000000C14000001E00100800000C2CC1980432C683C002008802A45240008200002522000888810E6CC808663EC294939471C864F011C8D947DFD8F38E81008140001A00008201068000340000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[2-(diethylamino)ethylamino]-5,8-dihydroxy-4-(isopropylamino)anthracene-9,10-dione IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[2-(diethylamino)ethylamino]-5,8-dihydroxy-4-(propan-2-ylamino)anthracene-9,10-dione IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[2-(diethylamino)ethylamino]-5,8-dihydroxy-4-(propan-2-ylamino)anthracene-9,10-dione IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[2-(diethylamino)ethylamino]-5,8-dihydroxy-4-(propan-2-ylamino)anthracene-9,10-dione IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[2-(diethylamino)ethylamino]-5,8-bis(oxidanyl)-4-(propan-2-ylamino)anthracene-9,10-dione IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[2-(diethylamino)ethylamino]-5,8-dihydroxy-4-(isopropylamino)-9,10-anthraquinone InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C23H29N3O4/c1-5-26(6-2)12-11-24-14-7-8-15(25-13(3)4)19-18(14)22(29)20-16(27)9-10-17(28)21(20)23(19)30/h7-10,13,24-25,27-28H,5-6,11-12H2,1-4H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 RHKKQULMXZCZNR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 411.21580641 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C23H29N3O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 411.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCN(CC)CCNC1=C2C(=C(C=C1)NC(C)C)C(=O)C3=C(C=CC(=C3C2=O)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCN(CC)CCNC1=C2C(=C(C=C1)NC(C)C)C(=O)C3=C(C=CC(=C3C2=O)O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 102 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 411.21580641 30 0 0 0 0 0 0 0 1 -1