69230799 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 40 41 42 43 44 45 46 47 48 49 8 8 8 7 7 7 7 6 6 6 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 1 1 1 1 1 2 2 3 3 4 4 4 5 5 5 6 6 7 7 8 8 8 9 9 10 10 11 11 11 12 12 13 13 14 14 15 15 16 17 18 19 19 20 21 21 22 23 23 25 26 26 26 27 27 27 8 12 22 26 24 27 9 11 35 15 18 40 18 25 20 25 9 10 28 29 30 13 14 12 31 32 33 34 16 36 17 37 16 17 38 39 19 20 21 23 22 41 24 24 42 43 44 45 46 47 48 49 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 2 1 1 2 1 1 1 1 1 1 1 1 1 8 1 9 10 28 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 37 38 39 40 41 42 43 44 45 46 47 48 49 9.7757 2.866 2.866 11.5192 6.3465 7.2641 6.358 9.7872 10.659 8.927 11.5076 10.6358 8.0553 8.9386 7.2067 7.1951 8.0784 6.358 5.4641 5.4641 4.5981 3.732 4.5981 3.732 7.2641 2 2.866 9.2467 11.063 10.266 11.7129 12.1194 10.2319 11.0289 12.0596 8.0481 9.4791 6.6546 8.0856 5.806 4.5981 4.5981 7.7998 2.31 1.4631 1.69 3.486 2.866 2.246 -3.2822 0.7922 2.7922 -2.3023 -0.2424 1.2714 2.8269 -2.2823 -1.7924 -1.7723 -3.3023 -3.7922 -2.2623 -0.7724 -0.7524 -1.7523 -0.2624 0.7576 1.2922 2.2922 0.7922 1.2922 2.7922 2.2922 2.313 1.2922 3.7922 -2.5861 -1.322 -1.3128 -3.8873 -3.2017 -4.2625 -4.2717 -1.9986 -2.8822 -0.4686 -2.0561 0.3576 -0.5461 0.1722 3.4122 2.6251 1.8292 1.6022 0.7553 3.7922 4.4122 3.7922 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 8 10 10 13 14 15 15 18 19 19 20 21 22 23 18 25 20 25 10 13 14 16 17 16 17 19 20 21 23 22 24 24 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 461 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 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BB0000000000000000000000000000000000000003C7881000000000000B1F400001E00100000000C1CE19E0637F6F6C81400A003266364008288293122A009D8A03EEC988F2EE2C4F9DB87342A6ED01BDAE827B0D0B30E28400102000240005080020400048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-N-(4-morpholin-2-ylphenyl)quinazolin-4-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-N-[4-(2-morpholinyl)phenyl]-4-quinazolinamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-<I>N</I>-(4-morpholin-2-ylphenyl)quinazolin-4-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-N-(4-morpholin-2-ylphenyl)quinazolin-4-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-N-(4-morpholin-2-ylphenyl)quinazolin-4-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (6,7-dimethoxyquinazolin-4-yl)-(4-morpholin-2-ylphenyl)amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H22N4O3/c1-25-17-9-15-16(10-18(17)26-2)22-12-23-20(15)24-14-5-3-13(4-6-14)19-11-21-7-8-27-19/h3-6,9-10,12,19,21H,7-8,11H2,1-2H3,(H,22,23,24) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 WPOUGRNQGOYMAV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 366.16919058 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H22N4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 366.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)C4CNCCO4)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)C4CNCCO4)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 77.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 366.16919058 27 1 0 1 0 0 0 0 1 -1