69791279 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 11 11 11 14 14 14 15 15 16 17 17 18 20 21 21 21 22 22 23 23 24 24 25 26 26 26 27 27 27 18 26 19 27 11 12 30 9 12 10 12 13 16 13 19 9 10 15 17 21 13 28 29 16 19 22 18 31 23 20 32 20 33 34 35 36 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 1 1 1 1 1 2 2 1 2 2 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 10.7282 8.1301 6.3981 7.2641 10.7282 9.8622 5.532 5.532 6.3981 8.9962 7.2641 9.8622 11.5942 4.6381 11.5942 4.6381 3.732 10.7282 3.732 6.3981 12.4882 12.4882 13.3942 13.3942 2 9.8622 8.5976 9.3947 8.1301 4.6453 4.6453 3.1963 5.7781 6.3981 7.0181 12.481 12.481 13.93 13.93 2.3079 1.4619 1.6921 10.1722 9.3252 9.5522 -2.0242 2.5 -0 -0 -1.5 -0.5 1 -1.5 -0.5 -2 -0.5 -0.5 0 1 -2.0347 0 0.0347 -1.5208 1.5 -0.4792 -3 1.5347 -0.5347 1.0208 -0.0208 -1.5275 3 -0.9749 -0.9749 0.62 -2.6546 0.6546 -0.1671 -3 -3.62 -3 2.1546 -1.1546 1.3329 -0.3329 -0.9894 -1.2196 -2.0656 3.5369 3.31 2.4631 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 14 14 14 15 16 17 18 22 23 24 9 12 10 12 13 16 13 19 9 10 15 17 16 19 22 18 23 20 20 24 25 25 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 481 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BB0000000000000000000000000000000000000003C7881000000000000B1FE00001E00100000000C0CC19F0633D6F6C81400A003266264008288292122A00998A03E6C988C6EA2C4F9DB9434286EC01BC8E827B0C0B00E00400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 6-methoxy-N-[(4-methoxyquinazolin-2-yl)methyl]-4-methyl-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)methyl]-4-methyl-2-quinazolinamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 6-methoxy-<I>N</I>-[(4-methoxyquinazolin-2-yl)methyl]-4-methylquinazolin-2-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 6-methoxy-N-[(4-methoxyquinazolin-2-yl)methyl]-4-methylquinazolin-2-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 6-methoxy-N-[(4-methoxyquinazolin-2-yl)methyl]-4-methyl-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/c1-12-15-10-13(26-2)8-9-17(15)24-20(22-12)21-11-18-23-16-7-5-4-6-14(16)19(25-18)27-3/h4-10H,11H2,1-3H3,(H,21,22,24) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 LGQLIKFNLQSQNN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.7 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)NCC3=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)NCC3=NC4=CC=CC=C4C(=N3)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 82 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