69761809 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 53 54 55 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 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 1 1 1 1 2 2 2 3 3 4 4 4 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 10 10 11 11 12 12 13 14 15 15 15 16 16 17 18 18 19 19 19 20 20 21 22 23 23 24 24 24 25 25 26 26 27 17 12 16 17 21 22 5 7 8 28 6 29 30 9 31 32 10 11 33 34 35 15 36 37 13 38 14 39 13 14 40 41 42 43 44 18 21 19 20 45 24 46 47 22 23 48 25 26 49 50 51 52 27 53 27 54 55 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 2 1 1 4 5 7 8 28 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 48 49 50 51 52 53 54 55 5.5321 6.3981 4.666 9.8622 10.7282 11.5942 8.9962 9.8622 12.4603 8.9962 8.1301 7.2641 8.1301 7.2641 13.3263 5.5321 6.3981 4.666 7.2641 3.8 5.5321 3.8 2.9061 7.2641 2.9061 2 2 9.3252 11.1267 10.3297 11.1957 11.9928 9.2422 9.8622 10.4822 12.8588 12.0617 9.5331 8.1301 8.1301 6.7272 13.0163 13.8632 13.6363 4.666 7.4762 7.8747 6.069 2.9132 7.8841 7.2641 6.6441 2.9132 1.4643 1.4643 1.75 0.25 -1.75 -1.75 -1.25 -1.75 -1.25 -2.75 -1.25 -0.25 -1.75 -0.25 0.25 -1.25 -1.75 -0.25 1.25 0.25 1.75 -0.25 -1.25 -1.25 0.2847 2.75 -1.7847 -0.2292 -1.2708 -2.06 -0.7751 -0.7751 -2.225 -2.225 -2.75 -3.37 -2.75 -0.7751 -0.7751 0.06 -2.37 0.87 -1.56 -2.2869 -2.06 -1.2131 0.87 1.1674 1.8577 -1.56 0.9046 2.75 3.37 2.75 -2.4046 0.0829 -1.5829 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 7 7 10 11 12 12 16 16 18 20 20 22 23 25 26 21 22 8 10 11 13 14 13 14 18 21 20 22 23 25 26 27 27 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 457 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B20000000000000000000000000000000000000003C6080000000000000B1F400001E00000000000D08C19E043EC0F3081000A8033577540082802031122008D8213874980860E2C09191942008608400C8C8071080C00E88000000000200001000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-(1-methylpentyl)phenyl]-N-(3-quinolyl)propanamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-hexan-2-ylphenyl)-N-(3-quinolinyl)propanamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(4-hexan-2-ylphenyl)-<I>N</I>-quinolin-3-ylpropanamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-hexan-2-ylphenyl)-N-quinolin-3-ylpropanamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-hexan-2-ylphenyl)-N-quinolin-3-yl-propanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[4-(1-methylpentyl)phenyl]-N-(3-quinolyl)propionamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C24H28N2O/c1-4-6-9-18(3)19-12-14-21(15-13-19)26(24(27)5-2)22-16-20-10-7-8-11-23(20)25-17-22/h7-8,10-18H,4-6,9H2,1-3H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 IBUQYRSTJWWYQH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 6.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 360.220163521 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C24H28N2O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 360.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCC(C)C1=CC=C(C=C1)N(C2=CC3=CC=CC=C3N=C2)C(=O)CC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCC(C)C1=CC=C(C=C1)N(C2=CC3=CC=CC=C3N=C2)C(=O)CC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 33.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 360.220163521 27 1 0 1 0 0 0 0 1 -1