3293 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 8 7 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 2 2 2 3 3 3 4 4 5 5 6 6 7 8 8 8 9 9 9 10 10 11 11 12 12 12 13 14 15 15 15 16 16 16 13 15 3 5 17 4 8 9 6 18 7 11 7 12 10 19 20 21 22 23 24 13 25 14 26 27 28 29 14 30 16 31 32 33 34 35 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 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 3.732 7.2622 8.1282 8.1282 6.3961 7.2622 6.3961 9.1282 8.6282 5.5022 5.5022 7.2622 4.5961 4.5961 2.8641 2 7.2622 8.6651 9.1282 9.7482 9.1282 8.0912 8.9382 9.1651 5.5094 5.5094 7.8822 7.2622 6.6422 4.0604 2.4637 3.2608 2.3121 1.4643 1.6879 0.8342 -1.19 -0.69 0.31 -0.69 0.81 0.31 -0.69 -1.556 0.8447 -1.2247 1.81 0.3308 -0.7108 0.3375 0.8408 -1.81 0.62 -1.31 -0.69 -0.07 -1.866 -2.093 -1.246 1.4646 -1.8446 1.81 2.43 1.81 -1.0229 -0.1359 -0.139 1.3766 1.1529 0.3051 8 8 8 8 8 8 5 5 7 10 11 13 7 11 10 13 14 14 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 283 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0722000000000000000000000000000000000000000304000000000000000810000001E00100000000C8CA1980232C682C00400800224424000820800212200088800066C880C2622C4B19B863828E4D011C8E807B0C0B00E00400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-ethoxy-2,2,4-trimethyl-1H-quinoline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-ethoxy-2,2,4-trimethyl-1H-quinoline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-ethoxy-2,2,4-trimethyl-1<I>H</I>-quinoline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-ethoxy-2,2,4-trimethyl-1H-quinoline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-ethoxy-2,2,4-trimethyl-1H-quinoline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-ethoxy-2,2,4-trimethyl-1H-quinoline InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 DECIPOUIJURFOJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 217.146664230 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C14H19NO Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 217.31 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 21.3 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 217.146664230 16 0 0 0 0 0 0 0 1 -1