332902 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 7 7 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 1 1 1 1 2 2 2 3 4 4 5 5 5 6 7 7 8 9 9 10 11 11 12 12 13 14 14 15 16 16 16 17 17 18 18 19 19 20 6 8 3 8 27 14 15 20 6 7 9 11 10 21 10 12 22 23 13 24 13 25 26 15 16 17 28 29 30 18 31 19 32 20 33 34 1 2 1 1 1 2 1 2 1 1 2 2 2 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 2 1 1 1 1 3 -1 2 14 15 16 3 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 4.666 6.3981 7.2641 8.9962 3.8 3.8 4.666 5.5321 2.9061 5.5321 2.9061 2 2 8.1301 8.9962 8.1301 9.8622 10.7282 10.7282 9.8622 4.666 2.9132 6.069 2.9132 1.4643 1.4643 6.3981 7.5101 8.1301 8.7501 9.8622 11.2651 11.2651 9.8622 -0.5173 -0.5173 -0.0173 0.9827 0.9827 -0.0173 1.4827 -0.0173 1.5173 0.9827 -0.552 1.0035 -0.0381 -0.5173 -0.0173 -1.5173 -0.5173 -0.0173 0.9827 1.4827 2.1027 2.1373 1.2927 -1.172 1.3156 -0.3502 -1.1373 -1.5173 -2.1373 -1.5173 -1.1373 -0.3273 1.2927 2.1027 8 8 1 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 1 1 3 4 4 5 5 5 6 7 8 9 11 12 15 17 18 19 6 8 14 15 20 6 7 9 11 10 10 12 13 13 17 18 19 20 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 341 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C07B80000000000000000000000000000000000000003C5880000000000000B1FC00001C00180000000C08C11E043FF0F26A1000A003366764009284293102201CD8203864988820E2C09191842008609802C8C8271080800E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[1-(2-pyridyl)ethylideneamino]quinolin-2-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[1-(2-pyridinyl)ethylideneamino]-2-quinolinamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(1-pyridin-2-ylethylideneamino)quinolin-2-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(1-pyridin-2-ylethylideneamino)quinolin-2-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(1-pyridin-2-ylethylideneamino)quinolin-2-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 [1-(2-pyridyl)ethylideneamino]-(2-quinolyl)amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H14N4/c1-12(14-7-4-5-11-17-14)19-20-16-10-9-13-6-2-3-8-15(13)18-16/h2-11H,1H3,(H,18,20) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZHXBMYNQHKXYCJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 262.121846464 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H14N4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 262.31 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=NNC1=NC2=CC=CC=C2C=C1)C3=CC=CC=N3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=NNC1=NC2=CC=CC=C2C=C1)C3=CC=CC=N3 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 50.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 262.121846464 20 0 0 0 1 0 1 0 1 -1