54713842 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 8 8 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 1 1 1 1 1 1 1 1 1 1 2 2 3 4 4 4 5 5 5 6 6 6 6 7 7 7 8 8 8 9 9 10 10 11 11 12 12 12 13 13 16 16 17 18 18 19 20 20 20 21 21 21 22 22 22 23 23 23 11 13 14 49 15 9 15 20 17 22 23 7 8 24 25 11 26 27 12 28 29 10 16 14 18 30 31 21 32 33 14 15 17 34 19 19 35 36 37 38 39 40 41 42 43 44 45 46 47 48 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 2 1 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 8.1301 6.3981 8.1301 6.3981 2.868 10.7282 9.8622 11.5942 5.532 5.532 8.9962 12.4602 7.2641 6.3981 7.2641 4.6381 3.732 4.6381 3.732 6.3981 13.3263 2 2.8718 10.3297 11.1267 10.2607 9.4636 11.9928 11.1957 8.5976 9.3947 12.0617 12.8588 4.6453 4.6453 3.1963 5.7781 6.3981 7.0181 13.6363 13.8632 13.0163 2.3079 1.4619 1.6921 2.2518 2.8742 3.4918 6.935 0.8571 1.8571 -1.1429 -1.1429 -1.1671 0.3571 0.8571 0.8571 -0.6429 0.3571 0.3571 0.3571 0.3571 0.8571 -0.6429 -1.1776 -0.6637 0.8917 0.3779 -2.1429 0.8571 -0.6704 -2.1671 -0.1179 -0.1179 1.332 1.332 1.332 1.332 -0.1179 -0.1179 -0.1179 -0.1179 -1.7976 1.5117 0.69 -2.1429 -2.7629 -2.1429 0.3201 1.1671 1.394 -0.1323 -0.3625 -1.2086 -2.1695 -2.7871 -2.1647 2.1671 8 8 8 8 8 8 8 8 8 8 8 4 4 9 9 10 10 13 13 16 17 18 9 15 10 16 14 18 14 15 17 19 19 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 448 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B3000000000000000000000000000000000000000304000000000000000810000001E00000800000C0CA1980632C083000600880225525002820800212200088800486CC80A2622C0D1D587700866C601D8D90790D0230E08000000040200001000000008040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dimethylamino)-3-hexoxy-4-hydroxy-1-methyl-quinolin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dimethylamino)-3-hexoxy-4-hydroxy-1-methyl-2-quinolinone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dimethylamino)-3-hexoxy-4-hydroxy-1-methylquinolin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dimethylamino)-3-hexoxy-4-hydroxy-1-methylquinolin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dimethylamino)-3-hexoxy-1-methyl-4-oxidanyl-quinolin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(dimethylamino)-3-hexoxy-4-hydroxy-1-methyl-carbostyril InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H26N2O3/c1-5-6-7-8-11-23-17-16(21)14-10-9-13(19(2)3)12-15(14)20(4)18(17)22/h9-10,12,21H,5-8,11H2,1-4H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 YKKMVYGVQYSLQN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 318.19434270 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H26N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 318.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCOC1=C(C2=C(C=C(C=C2)N(C)C)N(C1=O)C)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCCCOC1=C(C2=C(C=C(C=C2)N(C)C)N(C1=O)C)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 53 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 318.19434270 23 0 0 0 0 0 0 0 1 -1