11501692 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 17 8 8 8 7 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 2 2 3 3 4 5 5 5 6 6 6 7 8 8 9 9 10 11 11 12 12 13 13 14 15 15 16 16 17 17 18 19 19 20 21 21 22 22 23 23 25 26 26 27 25 11 14 18 41 24 7 10 30 7 8 11 12 9 13 10 15 16 28 29 14 17 21 22 19 18 31 20 32 23 33 20 24 34 35 25 36 26 37 24 38 27 27 39 40 1 1 1 1 1 2 1 1 1 1 2 1 2 1 1 2 1 1 1 1 1 1 2 1 2 2 1 2 1 2 1 1 1 1 1 1 1 2 1 1 1 2 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 2.866 3.68 6.3422 5.5172 6.3301 4.5981 5.4641 4.5981 5.4641 6.3301 3.6881 5.4802 3.732 4.5821 5.448 7.2401 6.4321 6.3461 4.5738 7.2482 3.732 2.866 6.4488 5.5134 2.866 2 2 3.4835 3.0764 6.8671 4.9076 7.7734 6.963 4.0356 7.7863 4.269 2.866 6.9893 1.4631 1.4631 6.878 4.1577 -1.3908 4.227 -4.539 0.1577 0.1577 -0.3423 1.1577 1.6577 1.1577 -0.3491 -1.3838 1.6577 -1.9116 2.6992 1.6645 -1.9044 3.227 -2.9965 2.7061 2.6577 1.1577 -2.9893 -3.539 3.1577 1.6577 2.6577 0.2361 -0.4505 -0.1523 3.003 1.3484 -1.5841 -3.3045 3.0141 2.9677 0.5377 -3.2931 1.3477 2.9677 4.539 8 8 8 8 8 8 8 8 8 8 8 8 9 9 10 13 13 15 16 18 21 22 25 26 10 15 16 21 22 18 20 20 25 26 27 27 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 793 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07A3000040000000000000000000000000000000000306081020000000000814000001E02100800000C0EA1982230C682C006008802A4524000820800212700088800066EC8082622C3B39386700866D011C8F987B0C0F00E00400120000200000080024000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(3-chlorophenyl)-9-hydroxy-6,12-dihydrochromeno[4,3-b]quinolin-3-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(3-chlorophenyl)-9-hydroxy-6,12-dihydro[1]benzopyrano[4,3-b]quinolin-3-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(3-chlorophenyl)-9-hydroxy-6,12-dihydrochromeno[4,3-b]quinolin-3-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(3-chlorophenyl)-9-hydroxy-6,12-dihydrochromeno[4,3-b]quinolin-3-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(3-chlorophenyl)-9-oxidanyl-6,12-dihydrochromeno[4,3-b]quinolin-3-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(3-chlorophenyl)-9-hydroxy-6,12-dihydrochromeno[4,3-b]quinolin-3-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C22H14ClNO3/c23-13-3-1-2-12(8-13)21-17-9-14(25)5-7-19(17)24-22-16-6-4-15(26)10-20(16)27-11-18(21)22/h1-10,24-25H,11H2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 WRLXXDUXRAWYQD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 375.0662210 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C22H14ClNO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 375.8 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1C2=C(C3=C(C=CC(=C3)O)NC2=C4C=CC(=O)C=C4O1)C5=CC(=CC=C5)Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1C2=C(C3=C(C=CC(=C3)O)NC2=C4C=CC(=O)C=C4O1)C5=CC(=CC=C5)Cl Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 58.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 375.0662210 27 0 0 0 0 0 0 0 1 -1