70192474 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 8 8 7 7 7 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 2 2 3 3 3 4 4 5 5 6 6 6 7 8 8 9 9 10 10 11 14 14 15 16 16 17 17 18 18 18 19 19 20 21 21 21 22 22 22 11 21 12 22 8 13 25 7 13 13 15 7 9 15 10 14 16 11 23 12 24 12 17 18 26 19 27 20 28 29 30 31 20 32 33 34 35 36 37 38 39 1 1 1 1 1 1 1 1 2 1 2 1 2 1 2 1 2 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 2 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 36 37 38 39 2 2 7.2622 5.492 6.3981 4.5981 4.5981 8.1301 3.732 3.732 2.866 2.866 6.3981 8.9942 5.492 8.134 9.8622 8.9904 9.0019 9.866 2 2 3.732 3.732 7.2598 5.4848 7.5982 10.3979 8.3704 8.988 9.6104 9.0043 10.4041 2.62 2 1.38 1.38 2 2.62 1.0154 -0.9846 -1.0087 -1.0192 0.5362 0.5154 -0.4846 -0.5121 1.0154 -0.9846 0.5154 -0.4846 -0.5054 -1.0154 1.0501 0.4879 -0.5188 -2.0154 0.9846 0.4812 2.0154 -1.9846 1.6354 -1.6046 -1.6287 1.67 0.8 -0.8308 -2.013 -2.6354 -2.0178 1.6046 0.7892 2.0154 2.6354 2.0154 -1.9846 -2.6046 -1.9846 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 6 6 7 8 8 9 10 11 14 16 17 19 7 13 13 15 7 9 15 10 14 16 11 12 12 17 19 20 20 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 355 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30000000000000000000000000000000000000003C6080000000000000B1F400001E00100000000C0CC19E063FD6F6C81400A003346764008288293122A009D8203EEC988D2EA2C4F9DB84342A6ED01B4AE827B0D0130E20400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-N-(o-tolyl)quinazolin-2-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-N-(2-methylphenyl)-2-quinazolinamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-<I>N</I>-(2-methylphenyl)quinazolin-2-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-N-(2-methylphenyl)quinazolin-2-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-N-(2-methylphenyl)quinazolin-2-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (6,7-dimethoxyquinazolin-2-yl)-(o-tolyl)amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H17N3O2/c1-11-6-4-5-7-13(11)19-17-18-10-12-8-15(21-2)16(22-3)9-14(12)20-17/h4-10H,1-3H3,(H,18,19,20) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ZVWLDXHLXJRFNO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 295.132076794 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H17N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 295.34 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC=CC=C1NC2=NC3=CC(=C(C=C3C=N2)OC)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC=CC=C1NC2=NC3=CC(=C(C=C3C=N2)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 56.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 295.132076794 22 0 0 0 0 0 0 0 1 -1