69790953 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 8 8 7 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 2 2 3 3 3 4 4 5 5 6 6 7 7 8 8 8 9 10 13 13 14 14 14 15 16 16 17 19 20 20 20 21 21 21 22 22 23 23 24 24 25 26 26 26 27 27 27 17 26 18 27 11 12 21 9 11 10 11 12 15 12 18 9 10 13 16 20 17 28 15 18 22 23 19 29 19 30 34 35 36 31 32 33 24 37 25 38 25 39 40 41 42 43 44 45 46 1 1 1 1 1 1 1 2 1 1 2 2 1 1 2 1 2 1 1 1 2 1 1 1 2 2 2 1 1 1 1 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 40 41 42 43 44 45 46 2.868 9.8622 8.1301 6.3981 7.2641 9.8622 8.9962 5.532 5.532 6.3981 7.2641 8.9962 4.6381 10.7282 10.7282 4.6381 3.732 9.8622 3.732 6.3981 8.1301 11.6221 11.6221 12.5282 12.5282 2 10.7282 4.6453 4.6453 3.1963 8.7501 8.1301 7.5101 5.7781 6.3981 7.0181 11.615 11.615 13.0639 13.0639 2.3079 1.4619 1.6921 10.4182 11.2651 11.0382 -0.7742 -1.75 1.25 1.25 -0.25 1.25 -0.25 -0.25 0.75 -0.75 0.75 0.75 -0.7847 -0.25 0.75 1.2847 -0.2708 -0.75 0.7708 -1.75 2.25 -0.7847 1.2847 -0.2708 0.7708 -0.2775 -2.25 -1.4046 1.9046 1.0829 2.25 2.87 2.25 -1.75 -2.37 -1.75 -1.4046 1.9046 -0.5829 1.0829 0.2606 0.0304 -0.8156 -2.7869 -2.56 -1.7131 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 6 7 7 8 8 8 9 13 14 14 14 15 16 17 22 23 24 9 11 10 11 12 15 12 18 9 10 13 16 17 15 18 22 23 19 19 24 25 25 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 495 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 0 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 00000371E07BB0000000000000000000000000000000000000003C7881000000000000B1FE00001E00000000000C0C819E0633D6F7081400A003246264008288292122A00998203E6C988C2EA2C4F9DB8434286EC01B48E827B0C0B00E00400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 6-methoxy-N-(4-methoxyquinazolin-2-yl)-N,4-dimethyl-quinazolin-2-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 6-methoxy-N-(4-methoxy-2-quinazolinyl)-N,4-dimethyl-2-quinazolinamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 6-methoxy-<I>N</I>-(4-methoxyquinazolin-2-yl)-<I>N</I>,4-dimethylquinazolin-2-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 6-methoxy-N-(4-methoxyquinazolin-2-yl)-N,4-dimethylquinazolin-2-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 6-methoxy-N-(4-methoxyquinazolin-2-yl)-N,4-dimethyl-quinazolin-2-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (6-methoxy-4-methyl-quinazolin-2-yl)-(4-methoxyquinazolin-2-yl)-methyl-amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H19N5O2/c1-12-15-11-13(26-3)9-10-17(15)23-19(21-12)25(2)20-22-16-8-6-5-7-14(16)18(24-20)27-4/h5-11H,1-4H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HEAWXUQONNAFHJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 361.15387487 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H19N5O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 361.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C2C=C(C=CC2=NC(=N1)N(C)C3=NC4=CC=CC=C4C(=N3)OC)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C2C=C(C=CC2=NC(=N1)N(C)C3=NC4=CC=CC=C4C(=N3)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 73.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 361.15387487 27 0 0 0 0 0 0 0 1 -1