11522276 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 17 8 8 8 7 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 2 2 3 3 4 5 5 5 6 6 7 7 8 8 9 9 10 10 11 11 13 14 14 15 15 16 16 17 17 18 19 20 20 12 9 13 18 31 21 6 10 24 7 8 9 12 13 14 22 23 11 16 12 15 17 20 25 18 26 19 27 21 28 19 29 21 30 1 1 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 2 2 1 2 1 2 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 2.052 2 4.6622 3.8372 4.6501 3.7841 2.918 3.8001 2.008 4.6501 3.7841 2.918 2.9021 4.752 3.768 5.5601 2.8937 4.666 5.5681 4.7688 3.8334 1.8035 1.3964 5.187 5.2829 3.2275 6.0934 2.3556 6.1062 5.3093 5.1979 1.6577 -1.3908 4.227 -4.539 0.1577 -0.3423 0.1577 -1.3838 -0.3491 1.1577 1.6577 1.1577 -1.9116 -1.9044 2.6992 1.6645 -2.9965 3.227 2.7061 -2.9893 -3.539 0.2361 -0.4505 -0.1523 -1.5841 3.003 1.3484 -3.3045 3.0141 -3.2931 4.539 8 8 8 8 8 8 10 10 11 15 16 18 11 16 15 18 19 19 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 644 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 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07A3000040000000000000000000000000000000000304081000000000000810000001E02100800000C0EA1980230C682C006008802A4524000820800212200088800066EC8082622C3B19386700866D011C8F987B0C0100E00400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 7-chloro-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-chloro-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-chloro-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-chloro-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-chloranyl-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-chloro-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/C16H10ClNO3/c17-15-11-5-8(19)2-4-13(11)18-16-10-3-1-9(20)6-14(10)21-7-12(15)16/h1-6,18-19H,7H2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 MDMOITWRPTWZFO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 299.0349209 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H10ClNO3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 299.71 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)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)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 2021.05.07 299.0349209 21 0 0 0 0 0 0 0 1 -1