69791278 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 4 4 5 5 6 6 6 7 7 8 8 8 10 10 10 12 13 14 14 14 15 16 16 17 17 19 20 20 20 21 22 22 23 23 24 24 25 26 26 26 27 27 27 18 26 19 27 9 12 9 13 11 15 8 31 32 11 18 9 11 28 12 13 16 17 20 15 18 22 23 19 29 21 30 21 33 34 35 36 24 37 25 38 25 39 40 41 42 43 44 45 46 1 1 1 1 1 2 2 1 2 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 2 2 2 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 8 6 9 11 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 9.8622 2.868 6.3981 7.2641 9.8622 8.1301 8.9962 8.1301 7.2641 5.532 8.9962 5.532 6.3981 10.7282 10.7282 4.6381 4.6381 9.8622 3.732 6.3981 3.732 11.6221 11.6221 12.5282 12.5282 10.7282 2 8.6671 4.6453 4.6453 8.6671 7.5932 5.7781 6.3981 7.0181 3.1963 11.615 11.615 13.0639 13.0639 10.4182 11.2651 11.0382 2.3079 1.4619 1.6921 -1.905 -0.9292 1.095 -0.405 1.095 2.095 -0.405 1.095 0.595 -0.405 0.595 0.595 -0.905 -0.405 0.595 -0.9397 1.1297 -0.905 -0.4258 -1.905 0.6158 -0.9397 1.1297 -0.4258 0.6158 -2.405 -0.4325 1.405 -1.5596 1.7496 2.405 2.405 -1.905 -2.525 -1.905 0.9279 -1.5596 1.7496 -0.7379 0.9279 -2.9419 -2.715 -1.8681 0.1056 -0.1246 -0.9706 8 8 8 8 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 5 7 7 8 10 10 10 12 14 14 14 15 16 17 19 22 23 24 9 12 9 13 11 15 11 18 6 12 13 16 17 15 18 22 23 19 21 21 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 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 00000371E07BB0000000000000000000000000000000000000003C7881000000000000B1FE00001E00100000000C2CC19F0633D6F6481400A003266264008288292122A00998A0366C988C6EA2C4F9DB9434286EC01BC8E827B0C0B00E00400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 (6-methoxy-4-methyl-quinazolin-2-yl)-(4-methoxyquinazolin-2-yl)methanamine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 (6-methoxy-4-methyl-2-quinazolinyl)-(4-methoxy-2-quinazolinyl)methanamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 (6-methoxy-4-methylquinazolin-2-yl)-(4-methoxyquinazolin-2-yl)methanamine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 (6-methoxy-4-methylquinazolin-2-yl)-(4-methoxyquinazolin-2-yl)methanamine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 (6-methoxy-4-methyl-quinazolin-2-yl)-(4-methoxyquinazolin-2-yl)methanamine 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/c1-11-14-10-12(26-2)8-9-16(14)24-18(22-11)17(21)19-23-15-7-5-4-6-13(15)20(25-19)27-3/h4-10,17H,21H2,1-3H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KMJSJSYQCFKDIH-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.5 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)C(C3=NC4=CC=CC=C4C(=N3)OC)N)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C2C=C(C=CC2=NC(=N1)C(C3=NC4=CC=CC=C4C(=N3)OC)N)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 96 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 361.15387487 27 1 0 1 0 0 0 0 1 -1