56840766 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 8 8 7 7 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 2 2 3 3 3 4 4 5 5 5 5 6 6 6 7 7 8 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 15 16 17 18 18 19 19 21 22 22 23 23 24 17 43 20 44 7 9 11 16 21 6 7 10 25 8 26 27 28 29 9 30 31 32 33 13 14 12 15 16 19 17 34 18 35 21 36 22 20 20 37 23 38 39 24 40 24 41 42 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 2 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 5 6 7 10 25 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 8.9962 8.9962 4.666 4.666 5.5321 4.666 5.5321 3.8 3.8 6.3981 4.666 3.8 7.2641 6.3981 5.5321 3.8 8.1301 7.2641 2.9061 8.1301 5.5321 2.9061 2 2 5.5321 5.0646 4.2675 5.7441 6.1426 3.588 3.1894 3.1894 3.588 7.2641 5.8612 6.069 7.2641 2.9132 6.069 2.9132 1.4643 1.4643 9.5331 8.9962 0.9573 2.9573 -0.5427 -3.5427 0.9573 1.4573 -0.0427 0.9573 -0.0427 1.4573 -1.5427 -2.0427 0.9573 2.4573 -2.0427 -3.0427 1.4573 2.9573 -1.508 2.4573 -3.0427 -3.5773 -2.0218 -3.0635 1.5773 1.9323 1.9323 -0.6253 0.065 1.5399 0.8497 0.065 -0.6253 0.3373 2.7673 -1.7327 3.5773 -0.888 -3.3527 -4.1973 -1.7098 -3.3756 1.2673 3.5773 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 10 10 11 11 12 12 13 14 15 16 17 18 19 22 23 16 21 10 13 14 12 15 16 19 17 18 21 22 20 20 23 24 24 0 Compound Canonicalized 5 2012.02.08 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 418 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30000000000000000000000000000000000000003C7881000000000000B1F400001E00000800000D0CC19E043CC6F3081200A0033467440082802031222008D8203EEC980926E2C2D1D384740964C011C9D80790D0F20EA0000100000240004000020000048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[1-(4-quinolyl)-3-piperidyl]benzene-1,2-diol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[1-(4-quinolinyl)-3-piperidinyl]benzene-1,2-diol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(1-quinolin-4-ylpiperidin-3-yl)benzene-1,2-diol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(1-quinolin-4-ylpiperidin-3-yl)benzene-1,2-diol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(1-quinolin-4-ylpiperidin-3-yl)benzene-1,2-diol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[1-(4-quinolyl)-3-piperidyl]pyrocatechol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H20N2O2/c23-19-8-7-14(12-20(19)24)15-4-3-11-22(13-15)18-9-10-21-17-6-2-1-5-16(17)18/h1-2,5-10,12,15,23-24H,3-4,11,13H2 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 IQMLRQKODHMLSS-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 320.152477885 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H20N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 320.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1CC(CN(C1)C2=CC=NC3=CC=CC=C32)C4=CC(=C(C=C4)O)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1CC(CN(C1)C2=CC=NC3=CC=CC=C32)C4=CC(=C(C=C4)O)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 56.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 320.152477885 24 1 0 1 0 0 0 0 1 -1