54677162 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 17 8 8 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 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 5 5 6 6 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 14 15 15 16 16 17 17 18 19 19 20 20 20 21 24 24 25 25 26 28 28 28 29 29 29 55 15 16 22 48 18 26 28 27 29 23 11 12 13 17 18 44 21 23 45 14 30 31 15 32 33 16 34 35 17 36 37 38 39 40 41 42 43 19 22 23 21 22 24 25 26 46 27 47 27 49 50 51 52 53 54 1 1 1 1 1 2 1 1 1 1 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 1 1 1 2 1 1 1 2 2 1 1 1 1 2 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 5.7755 11.9405 4.1463 5.8783 0.6161 0.6161 5.8783 10.2084 6.7443 4.1463 9.3424 11.0745 10.2084 8.4764 11.9405 11.0745 7.6104 5.8783 5.0123 3.2802 3.2802 4.1463 5.0123 2.3863 2.3863 1.4802 1.4802 0.62 0.62 9.741 8.9439 11.473 10.6759 9.5979 9.9964 8.0779 8.8749 12.5511 12.1525 10.6759 11.473 8.0089 7.2118 6.7443 4.1463 2.3935 2.3935 3.6093 1.24 0.6224 0 0 0.6224 1.24 6.7755 0 4.6615 7.1615 7.1615 6.1856 4.1373 4.1615 5.6615 5.6615 4.1615 6.1615 6.1615 4.6615 5.6615 5.6615 4.1615 6.1615 6.1615 5.6615 5.6615 4.6615 6.1615 4.6615 6.1962 4.1268 5.6823 4.6407 7.1856 3.1373 6.6364 6.6364 6.6364 6.6364 4.7692 4.0789 5.1865 5.1865 5.5538 6.2441 3.6865 3.6865 6.6364 6.6364 5.0415 3.5415 6.8161 3.5069 7.4715 7.1832 7.8056 7.188 3.135 2.5174 3.1397 0 8 8 8 8 8 8 8 8 8 8 8 10 10 19 19 20 20 20 21 24 25 26 21 23 22 23 21 22 24 25 26 27 27 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 605 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B38000400000000000000000000000000000000003C4080000000000000810000001E00100800000C0CE1980632C683C006008802255250008208002122000088810EECC80F262ACCF09B87702A66D619DAF907F0F03F0E20400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-6,7-dimethoxy-N-(3-morpholinopropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-6,7-dimethoxy-N-[3-(4-morpholinyl)propyl]-2-oxo-1H-quinoline-3-carboxamide;hydrochloride IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-6,7-dimethoxy-<I>N</I>-(3-morpholin-4-ylpropyl)-2-oxo-1<I>H</I>-quinoline-3-carboxamide;hydrochloride IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-6,7-dimethoxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-quinoline-3-carboxamide;hydrochloride IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-N-(3-morpholin-4-ylpropyl)-4-oxidanyl-2-oxidanylidene-1H-quinoline-3-carboxamide;hydrochloride IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-hydroxy-2-keto-6,7-dimethoxy-N-(3-morpholinopropyl)-1H-quinoline-3-carboxamide;hydrochloride InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H25N3O6.ClH/c1-26-14-10-12-13(11-15(14)27-2)21-19(25)16(17(12)23)18(24)20-4-3-5-22-6-8-28-9-7-22;/h10-11H,3-9H2,1-2H3,(H,20,24)(H2,21,23,25);1H InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 MMOUKGVFFLRXKY-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 427.1510133 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H26ClN3O6 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 427.9 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C2C(=C1)C(=C(C(=O)N2)C(=O)NCCCN3CCOCC3)O)OC.Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C2C(=C1)C(=C(C(=O)N2)C(=O)NCCCN3CCOCC3)O)OC.Cl Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 109 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 427.1510133 29 0 0 0 0 0 0 0 2 -1