60292393 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 50 51 52 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 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 1 1 2 2 3 3 4 4 4 5 5 6 6 7 7 7 8 8 8 9 9 9 10 10 11 11 12 12 13 13 13 15 15 16 16 17 17 18 18 20 20 21 21 22 23 23 24 24 25 27 27 27 28 28 28 8 9 25 27 26 28 10 11 14 14 17 14 19 19 45 46 10 12 29 11 13 32 30 31 33 34 15 16 35 36 37 20 38 21 39 18 23 19 24 22 40 22 41 42 25 43 26 44 26 47 48 49 50 51 52 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 2 1 2 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 8 1 10 12 29 3 1 9 1 11 13 32 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 50 51 52 9.8622 2.868 2.868 8.1301 6.3981 7.2641 6.3981 9.8622 8.9962 8.9962 8.1301 10.7282 8.9962 7.2641 10.7282 11.5942 5.532 5.532 6.3981 11.5942 12.4602 12.4602 4.6381 4.6381 3.732 3.732 2.8718 2 10.3991 8.5976 9.3947 9.5331 7.9181 7.5195 9.6162 8.9962 8.3762 10.1913 11.5942 11.5942 12.9972 12.9972 4.6453 4.6453 6.935 5.8611 3.4918 2.8742 2.2518 2.3079 1.4619 1.6921 1.405 0.4292 -1.6192 0.405 0.405 -1.095 -2.595 0.405 1.905 -0.095 1.405 -0.095 2.905 -0.095 -1.095 0.405 -0.095 -1.095 -1.595 -1.595 -0.095 -1.095 0.4397 -1.6297 -0.0742 -1.1158 1.4291 -1.1225 0.715 -0.5699 -0.5699 2.215 1.9876 1.2973 2.905 3.525 2.905 -1.405 1.025 -2.215 0.215 -1.405 1.0596 -2.2496 -2.905 -2.905 1.4268 2.0491 1.4315 -0.5844 -0.8146 -1.6606 8 8 8 8 3 3 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 8 9 12 12 15 16 17 17 18 18 20 21 23 24 25 14 17 14 19 12 13 15 16 20 21 18 23 19 24 22 22 25 26 26 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 504 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BB0000000000000000000000000000000000000003C7881000000000000B1F400001E00100000000C1CE19E0633F6F7481400A003266264008288292122A00998203EEC988F2EA2C4F9DB87342A6EC01BDAE827B0D0B30E20400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-2-(2-methyl-6-phenyl-morpholin-4-yl)quinazolin-4-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-2-(2-methyl-6-phenyl-4-morpholinyl)-4-quinazolinamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-2-(2-methyl-6-phenylmorpholin-4-yl)quinazolin-4-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-2-(2-methyl-6-phenylmorpholin-4-yl)quinazolin-4-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-2-(2-methyl-6-phenyl-morpholin-4-yl)quinazolin-4-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 [6,7-dimethoxy-2-(2-methyl-6-phenyl-morpholino)quinazolin-4-yl]amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C21H24N4O3/c1-13-11-25(12-19(28-13)14-7-5-4-6-8-14)21-23-16-10-18(27-3)17(26-2)9-15(16)20(22)24-21/h4-10,13,19H,11-12H2,1-3H3,(H2,22,23,24) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 OPWPNRODYRRDAX-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 2021.05.07 380.18484064 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C21H24N4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 380.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1CN(CC(O1)C2=CC=CC=C2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1CN(CC(O1)C2=CC=CC=C2)C3=NC4=CC(=C(C=C4C(=N3)N)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 82.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 380.18484064 28 2 0 2 0 0 0 0 1 -1