56288642 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 8 8 8 7 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 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 8 9 9 9 10 10 10 11 11 12 12 13 13 15 16 16 17 17 18 18 19 20 21 21 22 22 23 24 24 25 25 27 27 28 28 29 14 20 26 11 12 13 14 40 41 15 20 43 23 26 48 9 10 14 30 11 31 32 12 33 34 35 36 37 38 15 16 17 18 39 19 42 19 44 45 21 22 24 23 25 27 26 46 28 47 29 49 29 50 51 2 2 2 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 1 1 1 1 2 1 1 1 1 2 1 2 2 1 1 1 1 1 1 2 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 9.8622 3.8 6.3981 7.2641 10.7282 5.5321 4.666 8.9962 8.9962 8.1301 8.1301 7.2641 6.3981 9.8622 5.5321 6.3981 4.666 5.5321 4.666 4.666 4.666 3.8 3.8 5.5321 2.9061 5.5321 2.9061 2 2 9.5331 9.6067 9.2082 7.7316 8.5287 8.5287 7.7316 6.6535 7.0521 6.935 11.2651 10.7282 4.1291 6.069 5.5321 4.1291 6.069 2.9132 4.666 2.9132 1.4643 1.4643 -0.94 0.56 -2.94 1.56 0.56 0.56 -2.94 0.56 1.56 0.06 2.06 0.56 2.06 0.06 1.56 3.06 2.06 3.56 3.06 0.06 -0.94 -1.44 -2.44 -1.44 -0.9053 -2.44 -2.9747 -1.4192 -2.4608 0.87 1.4523 2.1426 -0.4149 -0.4149 2.5349 2.5349 0.6677 -0.0226 3.37 0.25 1.18 1.75 0.25 4.18 3.37 -1.13 -0.2854 -3.56 -3.5946 -1.1071 -2.7729 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 13 13 15 16 17 18 21 21 22 22 23 24 25 27 28 23 26 15 16 17 18 19 19 22 24 23 25 27 26 28 29 29 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 684 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 3 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 00000371E07BB0000000000000000000000000000000000000003C6081000000000000814000001E00100000000D08C1980430C083C000008802255250008200002102000888010874C8086032C09591942008609400C8C9871C88808E00000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(4-carbamoyl-1-piperidyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(4-carbamoyl-1-piperidinyl)phenyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[2-(4-carbamoylpiperidin-1-yl)phenyl]-2-oxo-1<I>H</I>-quinoline-4-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(4-carbamoylpiperidin-1-yl)phenyl]-2-oxo-1H-quinoline-4-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(4-aminocarbonylpiperidin-1-yl)phenyl]-2-oxidanylidene-1H-quinoline-4-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(4-carbamoylpiperidino)phenyl]-2-keto-1H-quinoline-4-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C22H22N4O3/c23-21(28)14-9-11-26(12-10-14)19-8-4-3-7-18(19)25-22(29)16-13-20(27)24-17-6-2-1-5-15(16)17/h1-8,13-14H,9-12H2,(H2,23,28)(H,24,27)(H,25,29) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KFVYGOHCCJDOAX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 390.16919058 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C22H22N4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 390.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1CN(CCC1C(=O)N)C2=CC=CC=C2NC(=O)C3=CC(=O)NC4=CC=CC=C43 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1CN(CCC1C(=O)N)C2=CC=CC=C2NC(=O)C3=CC(=O)NC4=CC=CC=C43 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 105 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 390.16919058 29 0 0 0 0 0 0 0 1 -1