11653506 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 8 8 8 7 7 6 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 1 2 2 3 4 4 4 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 20 21 22 22 23 23 25 25 26 26 27 11 14 18 42 24 7 10 31 28 7 8 11 12 9 13 10 15 16 29 30 14 17 20 22 19 18 32 21 33 23 34 21 24 35 25 36 38 26 37 24 39 27 28 27 40 41 1 1 1 1 2 1 1 1 3 1 2 1 2 1 1 2 1 1 1 1 1 1 1 2 2 2 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 2 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 3.68 6.3422 5.5172 6.3301 2.866 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 3.732 7.2482 2.866 6.4488 5.5134 2.866 2 2 2.866 3.4835 3.0764 6.8671 4.9076 7.7734 6.963 4.0356 4.269 2.866 7.7863 6.9893 1.4631 1.4631 6.878 -1.7001 3.9176 -4.8484 -0.1516 4.8484 -0.1516 -0.6516 0.8484 1.3484 0.8484 -0.6585 -1.6932 1.3484 -2.2209 2.3899 1.3552 -2.2138 2.9176 -3.3059 2.3484 2.3968 0.8484 -3.2986 -3.8484 2.8484 1.3484 2.3484 3.8484 -0.0732 -0.7599 -0.4616 2.6936 1.039 -1.8935 -3.6138 2.6584 0.2284 2.7047 -3.6024 1.0384 2.6584 4.2297 8 8 8 8 8 8 8 8 8 8 8 8 9 9 10 13 13 15 16 18 20 22 25 26 10 15 16 20 22 18 21 21 25 26 27 27 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 885 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07B3000000000000000000000000000000000000000306081020000000000814000001E00100800000C0CA1980230C682C006009806A4524000A20800212200088800066CC808A622C2B19386700866D011C8F98FB0C0F00E00400300000200000080060000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(9-hydroxy-3-oxo-6,12-dihydrochromeno[4,3-b]quinolin-7-yl)benzonitrile IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(9-hydroxy-3-oxo-6,12-dihydro[1]benzopyrano[4,3-b]quinolin-7-yl)benzonitrile IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(9-hydroxy-3-oxo-6,12-dihydrochromeno[4,3-b]quinolin-7-yl)benzonitrile IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(9-hydroxy-3-oxo-6,12-dihydrochromeno[4,3-b]quinolin-7-yl)benzonitrile IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(9-oxidanyl-3-oxidanylidene-6,12-dihydrochromeno[4,3-b]quinolin-7-yl)benzenecarbonitrile IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(9-hydroxy-3-keto-6,12-dihydrochromeno[4,3-b]quinolin-7-yl)benzonitrile InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C23H14N2O3/c24-11-13-2-1-3-14(8-13)22-18-9-15(26)5-7-20(18)25-23-17-6-4-16(27)10-21(17)28-12-19(22)23/h1-10,25-26H,12H2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DJPDLSJPDKJMGG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 366.10044231 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C23H14N2O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 366.4 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)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)C5=CC=CC(=C5)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 2021.05.07 366.10044231 28 0 0 0 0 0 0 0 1 -1