69896273 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 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 1 1 1 2 2 2 3 3 3 4 4 5 5 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 11 11 11 12 12 13 13 13 15 15 16 16 17 17 18 18 19 19 20 21 21 23 23 24 24 25 25 26 22 9 10 12 14 19 44 14 22 6 7 8 27 9 28 29 10 30 31 11 32 33 34 35 36 37 13 38 39 15 16 14 40 41 17 42 18 43 20 45 20 46 21 23 47 22 24 25 48 26 49 26 50 51 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 2 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 4.666 10.7282 4.666 5.5321 8.9962 8.9962 9.8622 8.1301 9.8622 10.7282 7.2641 11.5942 6.3981 5.5321 12.4603 11.5942 13.3263 12.4603 3.8 13.3263 3.8 4.666 2.9061 2.9061 2 2 8.9962 8.7841 8.3856 9.4637 10.2607 7.7316 8.5287 10.2607 9.4637 10.9403 11.3388 7.6626 6.8656 5.9996 6.7966 12.4603 11.0573 4.666 13.8632 12.4603 13.8632 2.9132 2.9132 1.4643 1.4643 1.56 0.06 -1.44 0.06 -0.94 0.06 -1.44 -1.44 0.56 -0.94 -0.94 0.56 -1.44 -0.94 0.06 1.56 0.56 2.06 -0.94 1.56 0.06 0.56 -1.4747 0.5947 -0.9608 0.0808 -1.56 0.6426 -0.0477 -1.915 -1.915 -1.915 -1.915 1.035 1.035 -1.5226 -0.8323 -0.4651 -0.4651 -1.915 -1.915 -0.56 1.87 -2.06 0.25 2.68 1.87 -2.0946 1.2146 -1.2729 0.3929 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 12 12 15 16 17 18 19 19 21 21 23 24 25 14 19 14 22 15 16 17 18 20 20 21 23 22 24 25 26 26 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 504 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B20000000000000000000000000000000000000003C6081000000000000814000001E00100000000D08C1980431C083C00000A802277274008200012502000988013864C808203AC0DD91842188609000C8C9C71888008E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-(1-phenyl-4-piperidyl)propyl]-1H-quinazolin-4-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-(1-phenyl-4-piperidinyl)propyl]-1H-quinazolin-4-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-(1-phenylpiperidin-4-yl)propyl]-1<I>H</I>-quinazolin-4-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-(1-phenylpiperidin-4-yl)propyl]-1H-quinazolin-4-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-(1-phenylpiperidin-4-yl)propyl]-1H-quinazolin-4-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[3-(1-phenyl-4-piperidyl)propyl]-1H-quinazolin-4-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C22H25N3O/c26-22-19-10-4-5-11-20(19)23-21(24-22)12-6-7-17-13-15-25(16-14-17)18-8-2-1-3-9-18/h1-5,8-11,17H,6-7,12-16H2,(H,23,24,26) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 YBRKYRATPKYQAG-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 347.199762429 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C22H25N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 347.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1CN(CCC1CCCC2=NC(=O)C3=CC=CC=C3N2)C4=CC=CC=C4 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1CN(CCC1CCCC2=NC(=O)C3=CC=CC=C3N2)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 44.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 347.199762429 26 0 0 0 0 0 0 0 1 -1