11459678 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 8 8 7 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 1 2 3 3 3 4 5 5 6 6 7 7 8 8 9 10 10 11 11 12 12 13 14 15 15 16 16 17 17 18 18 13 30 19 5 7 21 20 6 11 8 12 9 10 9 20 22 15 16 14 23 13 24 14 25 17 26 18 27 19 28 19 29 1 1 2 1 1 1 3 2 1 1 1 1 2 2 1 1 1 1 2 1 2 1 1 1 2 1 2 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 2.5381 10.3984 6.0682 6.0682 5.2022 5.2022 6.9343 6.0682 6.9343 7.8003 4.3083 4.3083 3.4022 3.4022 7.8003 8.6663 8.6663 9.5323 9.5323 6.0682 6.0682 7.4712 4.3154 4.3154 2.8665 7.2634 8.6663 8.6663 10.0693 2 0.7742 -2.75 -1.25 2.75 -0.75 0.25 -0.75 0.75 0.25 -1.25 -1.2847 0.7847 0.2708 -0.7708 -2.25 -0.75 -2.75 -1.25 -2.25 1.75 -1.87 0.56 -1.9046 1.4046 -1.0829 -2.56 -0.13 -3.37 -0.94 0.4662 8 8 8 8 8 8 5 5 6 11 12 13 6 11 12 14 13 14 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 598 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 00000371C07B3000000000000000000000000000000000000000304080000000000000810000001E00100800000C0C81980030C682C002009806A4524000A20000212200088800066CC808A622C2919384700864D011C8D98FB0C0B00E00400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 6-hydroxy-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-quinoline-4-carbonitrile IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 6-hydroxy-2-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-quinoline-4-carbonitrile IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 6-hydroxy-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1<I>H</I>-quinoline-4-carbonitrile IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 6-hydroxy-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-quinoline-4-carbonitrile IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 6-oxidanyl-2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-quinoline-4-carbonitrile IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 6-hydroxy-2-(4-ketocyclohexa-2,5-dien-1-ylidene)-1H-quinoline-4-carbonitrile InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H10N2O2/c17-9-11-7-16(10-1-3-12(19)4-2-10)18-15-6-5-13(20)8-14(11)15/h1-8,18,20H InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 UVUPDUVVQOFBNR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 262.074227566 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H10N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 262.26 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC(=O)C=CC1=C2C=C(C3=C(N2)C=CC(=C3)O)C#N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC(=O)C=CC1=C2C=C(C3=C(N2)C=CC(=C3)O)C#N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 73.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 262.074227566 20 0 0 0 0 0 0 0 1 -1