54717745 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 8 8 7 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 4 4 5 5 5 6 6 6 7 7 8 8 8 9 9 10 11 13 13 14 15 15 16 16 16 17 17 18 18 19 11 35 12 12 14 16 5 7 9 20 6 21 22 8 23 24 11 12 10 25 26 10 27 28 13 14 15 17 18 29 30 31 32 19 33 19 34 36 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 2 2 1 1 1 1 1 1 1 2 1 1 4 5 7 9 20 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 4.666 6.3981 4.666 6.3981 7.2641 8.1301 5.5321 8.1301 6.3981 7.2641 4.666 5.5321 3.8 3.8 2.9061 4.666 2.9061 2 2 6.3981 6.8656 7.6626 8.3422 8.7407 8.7407 8.3422 5.8612 7.2641 2.9132 4.046 4.666 5.286 2.9132 1.4643 4.1291 1.4643 1.75 -1.25 -1.25 0.75 0.25 0.75 0.25 1.75 1.75 2.25 0.75 -0.75 0.25 -0.75 0.7847 -2.25 -1.2847 0.2708 -0.7708 0.13 -0.2249 -0.2249 0.1674 0.8577 1.6423 2.3326 2.06 2.87 1.4046 -2.25 -2.87 -2.25 -1.9046 0.5829 2.06 -1.0829 8 8 3 8 8 8 8 8 8 8 8 8 3 3 4 7 7 11 13 13 14 15 17 18 12 14 7 11 12 13 14 15 17 18 19 19 0 Compound Canonicalized 5 2011.12.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 438 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07A3000000000000000000000000000000000000000304080000000000000810000001E00000800000D0C81980432C083000200880225525000820000212200088801086CC8082632C0919184700866C601C8D90798C8208E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-cyclohex-2-en-1-yl-4-hydroxy-1-methyl-quinolin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(1-cyclohex-2-enyl)-4-hydroxy-1-methyl-2-quinolinone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-cyclohex-2-en-1-yl-4-hydroxy-1-methylquinolin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-cyclohex-2-en-1-yl-4-hydroxy-1-methylquinolin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-cyclohex-2-en-1-yl-1-methyl-4-oxidanyl-quinolin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-cyclohex-2-en-1-yl-4-hydroxy-1-methyl-carbostyril InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H17NO2/c1-17-13-10-6-5-9-12(13)15(18)14(16(17)19)11-7-3-2-4-8-11/h3,5-7,9-11,18H,2,4,8H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 WNQUHJQYZORFJE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 255.125928785 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H17NO2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 255.31 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN1C2=CC=CC=C2C(=C(C1=O)C3CCCC=C3)O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN1C2=CC=CC=C2C(=C(C1=O)C3CCCC=C3)O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 40.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 255.125928785 19 1 0 1 0 0 0 0 1 -1