70192478 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 9 9 8 8 7 7 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 2 3 3 4 4 5 5 6 6 7 7 7 8 8 8 9 10 11 11 12 12 13 14 14 16 17 17 19 20 20 21 22 22 22 23 23 23 16 19 13 22 15 23 9 18 10 18 18 29 30 9 10 11 12 14 13 24 16 17 15 15 25 19 20 26 21 21 27 28 31 32 33 34 35 36 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 2 1 2 1 1 2 1 2 1 1 1 2 1 2 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 36 4.666 4.666 2.868 2.868 7.2641 6.3981 8.1301 5.532 6.3981 5.532 4.6381 6.3981 3.732 4.6381 3.732 5.532 7.2641 7.2641 5.532 7.2641 6.3981 2 2.8718 4.6453 4.6453 7.801 7.801 6.3981 8.1301 8.6671 2.3079 1.4619 1.6921 3.4918 2.8742 2.2518 -1.0121 -3.0121 -0.0362 2.0121 0.4879 1.9879 1.9879 0.4879 -0.0121 1.4879 -0.0467 -1.0121 0.4671 2.0226 1.5087 -1.5121 -1.5121 1.4879 -2.5121 -2.5121 -3.0121 0.4604 3.0121 -0.6667 2.6426 -1.2021 -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 5 5 6 6 8 8 8 10 11 12 12 13 14 16 17 19 20 9 18 10 18 9 10 11 14 13 16 17 15 15 19 20 21 21 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 404 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 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 00000371C07B31800000000000000000000000000000000000003C6080000000000000B1F400001F00100000000C0C819E0A33D6F6481400A003246264008288292122A009982036EC988D2EA2C4F9DB84342A6EC01B4AE827B0D0F30E20400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(2,3-difluorophenyl)-6,7-dimethoxy-quinazolin-2-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(2,3-difluorophenyl)-6,7-dimethoxy-2-quinazolinamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(2,3-difluorophenyl)-6,7-dimethoxyquinazolin-2-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(2,3-difluorophenyl)-6,7-dimethoxyquinazolin-2-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[2,3-bis(fluoranyl)phenyl]-6,7-dimethoxy-quinazolin-2-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 [4-(2,3-difluorophenyl)-6,7-dimethoxy-quinazolin-2-yl]amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H13F2N3O2/c1-22-12-6-9-11(7-13(12)23-2)20-16(19)21-15(9)8-4-3-5-10(17)14(8)18/h3-7H,1-2H3,(H2,19,20,21) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 XGIKPXNCRFFUDO-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 317.09758299 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H13F2N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 317.29 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C2C(=C1)C(=NC(=N2)N)C3=C(C(=CC=C3)F)F)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C2C(=C1)C(=NC(=N2)N)C3=C(C(=CC=C3)F)F)OC 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 2021.05.07 317.09758299 23 0 0 0 0 0 0 0 1 -1