69816513 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 8 7 7 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 1 2 2 3 3 3 4 4 4 5 6 6 6 6 7 7 7 8 8 9 10 10 11 11 13 14 14 15 15 16 16 17 17 18 19 20 20 21 21 22 12 5 13 12 19 34 5 9 10 11 8 12 23 24 9 13 14 15 16 25 17 26 18 27 28 19 29 20 30 21 31 18 32 33 35 22 36 22 37 38 2 1 2 1 1 1 1 1 2 2 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 2 1 1 1 1 14 7 29 19 3 35 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 35 36 37 38 8.9962 4.666 8.1301 3.8 3.8 9.8622 5.5321 10.7282 4.666 2.9061 2.9061 8.9962 5.5321 6.3981 10.7282 11.5942 2 2 7.2641 11.5942 12.4603 12.4603 10.2607 9.4637 4.666 2.9132 2.9132 6.069 6.3981 10.1913 11.5942 1.4643 1.4643 8.1301 7.2641 11.5942 12.9972 12.9972 -0.7927 -1.2927 0.7073 0.2073 -0.7927 0.7073 0.2073 0.2073 0.7073 0.742 -1.3273 0.2073 -0.7927 0.7073 -0.7927 0.7073 0.2281 -0.8135 0.2073 -1.2927 0.2073 -0.7927 1.1823 1.1823 1.3273 1.362 -1.9473 -1.1027 1.3273 -1.1027 1.3273 0.5402 -1.1256 1.3273 -0.4127 -1.9127 0.5173 -1.1027 8 8 8 8 8 8 8 8 8 8 8 8 1 8 8 8 8 8 2 2 4 4 4 5 7 7 8 8 10 11 14 15 16 17 20 21 5 13 5 9 10 11 9 13 15 16 17 18 19 20 21 18 22 22 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 387 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B20000000000000000000000000000000000000003C6080000000000000B1F400001E00100000000C08C19E043CC0F2C81000A8033577540082802031022008D8A13864980820F2C09591842008609200C8C8071888C08E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-phenyl-N-[2-(3-quinolyl)vinyl]acetamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-phenyl-N-[2-(3-quinolinyl)ethenyl]acetamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-phenyl-<I>N</I>-(2-quinolin-3-ylethenyl)acetamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-phenyl-N-(2-quinolin-3-ylethenyl)acetamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-phenyl-N-(2-quinolin-3-ylethenyl)ethanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-phenyl-N-[2-(3-quinolyl)vinyl]acetamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H16N2O/c22-19(13-15-6-2-1-3-7-15)20-11-10-16-12-17-8-4-5-9-18(17)21-14-16/h1-12,14H,13H2,(H,20,22) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 LBPRDOAHGABSOI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 288.126263138 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H16N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 288.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)CC(=O)NC=CC2=CC3=CC=CC=C3N=C2 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)CC(=O)NC=CC2=CC3=CC=CC=C3N=C2 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 42 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 288.126263138 22 0 0 0 1 0 1 0 1 -1