11536596 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 8 8 8 7 7 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 2 2 3 4 4 4 5 6 6 7 7 8 8 9 9 9 10 10 11 12 13 14 14 15 15 16 16 17 17 18 19 20 20 10 13 18 32 21 6 12 25 22 7 8 10 11 13 14 11 12 15 23 24 22 16 17 20 26 18 27 19 28 21 29 19 30 21 31 1 1 1 1 2 1 1 1 3 1 2 1 2 1 1 1 2 1 1 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 32 2.814 5.4762 4.6512 5.4641 2 4.5981 3.732 4.6141 4.5981 2.822 3.732 5.4641 3.7161 5.5661 4.582 6.3741 3.7077 5.48 6.3821 5.5828 4.6474 2.866 2.6175 2.2104 6.001 6.0969 4.0415 6.9074 3.1696 6.9203 6.1233 6.0119 -1.3908 4.227 -4.539 0.1577 2.1577 -0.3423 0.1577 -1.3838 1.6577 -0.3491 1.1577 1.1577 -1.9116 -1.9044 2.6992 1.6645 -2.9965 3.227 2.7061 -2.9893 -3.539 1.6577 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 9 9 12 15 16 18 12 15 16 18 19 19 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 732 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 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 00000371C07B3000000000000000000000000000000000000000304081000000000000810000001E00100800000C0CA1980230C682C006009806A4524000A20800212200088800066CC808A622C2B19386700866D011C8F98FB0C0B00E00400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 9-hydroxy-3-oxo-6,12-dihydrochromeno[4,3-b]quinoline-7-carbonitrile IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 9-hydroxy-3-oxo-6,12-dihydro[1]benzopyrano[4,3-b]quinoline-7-carbonitrile IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 9-hydroxy-3-oxo-6,12-dihydrochromeno[4,3-b]quinoline-7-carbonitrile IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 9-hydroxy-3-oxo-6,12-dihydrochromeno[4,3-b]quinoline-7-carbonitrile IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 9-oxidanyl-3-oxidanylidene-6,12-dihydrochromeno[4,3-b]quinoline-7-carbonitrile IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 9-hydroxy-3-keto-6,12-dihydrochromeno[4,3-b]quinoline-7-carbonitrile InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H10N2O3/c18-7-13-12-5-9(20)2-4-15(12)19-17-11-3-1-10(21)6-16(11)22-8-14(13)17/h1-6,19-20H,8H2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 RXHAZAUVOQMTGQ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 290.06914219 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H10N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 290.27 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)C#N 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)C#N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 82.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 290.06914219 22 0 0 0 0 0 0 0 1 -1