70192475 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 4 4 5 5 5 6 6 6 7 8 8 9 10 10 11 11 12 13 13 15 15 16 16 18 18 18 19 19 20 21 21 21 22 22 22 12 21 14 22 7 17 9 17 17 32 33 7 9 10 8 11 15 13 12 23 16 18 14 14 24 19 25 20 26 27 28 29 20 30 31 34 35 36 37 38 39 1 1 1 1 2 1 1 2 1 1 1 1 1 2 1 1 2 2 1 1 2 1 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 2.868 2.868 7.2641 6.3981 8.1301 5.532 6.3981 6.3981 5.532 4.6381 5.532 3.732 4.6381 3.732 7.2641 5.532 7.2641 4.666 7.2641 6.3981 2 2.8718 4.6453 4.6453 7.801 4.9951 4.976 4.1291 4.356 7.801 6.3981 8.1301 8.6671 2.3079 1.4619 1.6921 3.4918 2.8742 2.2518 -0.0362 2.0121 0.4879 1.9879 1.9879 0.4879 -0.0121 -1.0121 1.4879 -0.0467 -1.5121 0.4671 2.0226 1.5087 -1.5121 -2.5121 1.4879 -1.0121 -2.5121 -3.0121 0.4604 3.0121 -0.6667 2.6426 -1.2021 -2.8221 -0.4751 -0.7021 -1.549 -2.8221 -3.6321 2.6079 1.6779 0.9986 0.7684 -0.0777 3.0097 3.6321 3.0145 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 6 6 6 8 8 9 10 11 12 13 15 16 19 7 17 9 17 7 9 10 11 15 13 12 16 14 14 19 20 20 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 368 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30000000000000000000000000000000000000003C6080000000000000B1F400001E00100000000C0C819E0233D6F6481400A003246264008288292122A009982036EC988D2EA2C4F9DB84342A6EC01B4AE827B0D0F30EA0400102001240004080020400248000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-4-(o-tolyl)quinazolin-2-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-4-(2-methylphenyl)-2-quinazolinamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-4-(2-methylphenyl)quinazolin-2-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-4-(2-methylphenyl)quinazolin-2-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-4-(2-methylphenyl)quinazolin-2-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 [6,7-dimethoxy-4-(o-tolyl)quinazolin-2-yl]amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H17N3O2/c1-10-6-4-5-7-11(10)16-12-8-14(21-2)15(22-3)9-13(12)19-17(18)20-16/h4-9H,1-3H3,(H2,18,19,20) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 VCPKFTGNZOGERL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.2 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=C1C2=NC(=NC3=CC(=C(C=C32)OC)OC)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC=CC=C1C2=NC(=NC3=CC(=C(C=C32)OC)OC)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 70.3 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