70854200 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 43 44 45 46 47 48 49 50 51 52 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 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 2 3 3 4 4 4 4 5 5 5 6 6 7 7 8 9 9 10 11 11 11 11 12 12 13 13 14 16 16 17 17 17 18 18 18 19 20 20 21 21 22 22 23 23 24 24 25 26 26 27 27 28 15 14 15 36 8 19 5 6 29 30 7 31 32 8 9 10 12 10 15 16 33 13 17 18 34 21 22 14 20 23 19 35 37 38 39 40 41 42 43 24 44 26 45 27 46 25 47 25 48 49 28 50 28 51 52 2 1 1 1 2 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 2 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 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 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 6.3408 8.0727 7.2241 5.4641 4.5981 6.3301 4.5981 6.3301 7.2241 5.4641 9.7931 3.732 8.9213 8.0611 7.2125 8.1301 10.6532 9.8046 8.1301 8.9098 2.866 3.732 7.1894 8.038 7.1778 2 2.866 2 5.8626 5.0656 4.386 3.9875 5.4641 9.2598 8.6659 8.6132 10.9694 11.1866 10.3371 9.1847 9.8118 10.4246 8.6659 9.4431 2.866 4.269 6.6561 8.0308 6.6373 1.4631 2.866 1.4631 1.0024 1.0224 -2.5568 -0.5222 -1.0222 -1.0222 -2.0222 -2.0222 -0.4875 -2.5222 2.0424 -2.5222 2.5323 2.0223 0.5124 -1.0014 2.5523 1.0424 -2.043 3.5322 -2.0222 -3.5222 2.5123 4.0222 3.5122 -2.5222 -4.0222 -3.5222 -0.0472 -0.0472 -0.4396 -1.1298 -3.1422 1.7262 -0.6893 0.7186 2.019 2.8685 3.0856 1.0352 0.4225 1.0496 -2.3551 3.8484 -1.4022 -3.8322 2.1961 4.6422 3.816 -2.2122 -4.6422 -3.8322 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 6 6 9 12 12 13 13 14 16 20 21 22 23 24 26 27 8 19 8 9 16 21 22 14 20 23 19 24 26 27 25 25 28 28 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 563 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 00000371E07B20000000000000000000000000000000000000003C608100000000000081D000001E00100000000D08C19E043EC092C81000A8033577540082802035022008D8213864D8082072C09591842108609400C8C9871C88C08E80000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-isopropylphenyl)-7-phenyl-5,6-dihydroquinoline-4-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 7-phenyl-N-(2-propan-2-ylphenyl)-5,6-dihydroquinoline-4-carboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 7-phenyl-<I>N</I>-(2-propan-2-ylphenyl)-5,6-dihydroquinoline-4-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 7-phenyl-N-(2-propan-2-ylphenyl)-5,6-dihydroquinoline-4-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 7-phenyl-N-(2-propan-2-ylphenyl)-5,6-dihydroquinoline-4-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-o-cumenyl-7-phenyl-5,6-dihydroquinoline-4-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C25H24N2O/c1-17(2)20-10-6-7-11-23(20)27-25(28)22-14-15-26-24-16-19(12-13-21(22)24)18-8-4-3-5-9-18/h3-11,14-17H,12-13H2,1-2H3,(H,27,28) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 CXSGECGJOWSIBP-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 368.188863393 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C25H24N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 368.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)C1=CC=CC=C1NC(=O)C2=C3CCC(=CC3=NC=C2)C4=CC=CC=C4 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(C)C1=CC=CC=C1NC(=O)C2=C3CCC(=CC3=NC=C2)C4=CC=CC=C4 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 2021.05.07 368.188863393 28 0 0 0 0 0 0 0 1 -1