68947656 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 9 8 7 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 5 5 5 6 6 6 7 7 8 8 8 9 10 11 11 12 12 14 14 15 15 16 16 17 17 18 18 19 20 20 21 22 23 23 24 24 25 25 27 27 28 28 29 26 13 13 15 34 10 19 22 46 47 7 9 12 10 14 9 11 13 30 16 17 18 19 31 20 32 22 23 21 33 24 35 25 36 37 21 38 39 27 28 40 26 41 26 42 29 43 29 44 45 1 2 1 1 1 1 2 1 1 1 1 1 2 1 2 2 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 2 1 1 2 1 1 2 1 1 1 1 1 2 1 1 8 11 13 9 6 30 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 39 40 41 42 43 44 45 46 47 5.5321 6.3981 7.2641 4.666 8.9962 4.666 3.8 5.5321 4.666 3.8 5.5321 5.5321 6.3981 2.9061 8.1301 2.9061 4.666 6.3981 5.5321 2 2 8.9962 8.1301 4.666 6.3981 5.5321 9.8622 8.9962 9.8622 4.1291 6.069 2.9132 2.9132 7.2641 4.1291 6.935 6.069 1.4643 1.4643 7.5932 4.1291 6.935 10.3991 8.9962 10.3991 9.5331 8.4592 3.7673 -1.7327 -0.2327 -3.7327 0.7673 -1.7327 -2.2327 -0.2327 -0.7327 -3.2327 0.7673 -2.2327 -0.7327 -1.698 -0.7327 -3.7673 1.2673 1.2673 -3.2327 -2.2118 -3.2535 -0.2327 -1.7327 2.2673 2.2673 2.7673 -0.7327 -2.2327 -1.7327 -0.4227 -1.9227 -1.078 -4.3873 0.3873 0.9573 0.9573 -3.5427 -1.8998 -3.5656 -2.0427 2.5773 2.5773 -0.4227 -2.8527 -2.0427 1.0773 1.0773 8 8 8 8 8 8 1 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 6 6 7 7 8 10 11 11 12 14 15 15 16 17 18 20 22 23 24 25 27 28 10 19 7 12 10 14 9 16 17 18 19 20 22 23 21 24 25 21 27 28 26 26 29 29 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 587 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B21000000000000000000000000000000000000003C60C1000000000000B1F400001F00100000000C08C19E0C3CC0F2C81000A8033577540082802031022008D8213874D80860F2C09591942008609400C8C9871888C08E80000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-aminophenyl)-2-(4-fluorophenyl)-3-(4-quinolyl)prop-2-enamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-aminophenyl)-2-(4-fluorophenyl)-3-(4-quinolinyl)-2-propenamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(2-aminophenyl)-2-(4-fluorophenyl)-3-quinolin-4-ylprop-2-enamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-aminophenyl)-2-(4-fluorophenyl)-3-quinolin-4-ylprop-2-enamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-aminophenyl)-2-(4-fluorophenyl)-3-quinolin-4-yl-prop-2-enamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(2-aminophenyl)-2-(4-fluorophenyl)-3-(4-quinolyl)acrylamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C24H18FN3O/c25-18-11-9-16(10-12-18)20(24(29)28-23-8-4-2-6-21(23)26)15-17-13-14-27-22-7-3-1-5-19(17)22/h1-15H,26H2,(H,28,29) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 TVWVCVRTCVEXPX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 383.14339037 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C24H18FN3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 383.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C(=CC=N2)C=C(C3=CC=C(C=C3)F)C(=O)NC4=CC=CC=C4N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C2C(=C1)C(=CC=N2)C=C(C3=CC=C(C=C3)F)C(=O)NC4=CC=CC=C4N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 68 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 383.14339037 29 0 0 0 1 0 1 0 1 -1