69667016 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 53 54 55 56 57 58 17 17 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 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 1 2 3 3 4 4 5 5 6 6 6 7 7 8 8 8 9 9 10 10 10 11 11 12 12 12 13 13 14 14 14 15 15 16 16 16 17 17 17 18 18 19 20 20 21 22 22 23 25 26 26 26 27 27 28 28 29 29 30 31 31 30 32 11 12 15 18 19 26 10 13 17 21 25 24 27 51 24 25 11 14 33 16 34 13 15 35 36 37 38 39 40 41 42 43 44 45 46 47 48 19 20 23 21 49 22 23 24 50 52 53 54 55 28 29 30 56 31 57 32 32 58 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 10 6 11 14 33 3 1 11 3 10 16 34 3 1 12 3 13 15 35 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 53 54 55 56 57 58 10.6418 12.3853 3.732 5.4641 5.4641 3.732 8.9561 8.9446 9.8622 2.866 2.866 4.5981 4.5981 2 5.4641 2 3.732 6.3301 6.3301 7.1962 8.0622 8.0622 7.1962 8.9561 9.8622 5.4641 9.8047 9.7932 10.6765 10.6534 11.5367 11.5251 2.866 2.866 4.5981 5.2087 4.8101 2.31 1.4631 1.69 6.0747 5.6762 1.69 1.4631 2.31 4.352 3.732 3.112 7.1962 7.1962 8.4041 10.3979 4.8441 5.4641 6.0841 9.2527 10.6837 12.0772 -5.0272 -4.0473 2.0272 1.0272 -0.9728 4.0272 1.0619 -2.0074 -0.4936 3.5272 2.5272 2.5272 3.5272 4.0272 2.0272 2.0272 5.0272 0.5272 -0.4728 1.0272 0.5272 -0.4728 -0.9728 -1.0074 0.548 -1.9728 -2.5174 -3.5173 -2.0274 -4.0273 -2.5374 -3.5373 4.1472 1.9072 1.9072 3.4196 4.1098 4.5642 4.3372 3.4903 1.9196 2.6098 2.5642 1.7172 1.4903 5.0272 5.6472 5.0272 1.6472 -1.5928 -2.3112 0.8601 -1.9728 -2.5928 -1.9728 -3.8211 -1.4074 -2.2336 8 8 8 8 3 3 3 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 9 9 10 11 12 18 18 19 20 21 22 22 27 27 28 29 30 31 21 25 24 25 14 16 15 19 20 23 21 22 23 24 28 29 30 31 32 32 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 606 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BB0000600000000000000000000000000000000003C7881000000000000B1F400001E02100000000C3EE19E2637F6F7C81400A003266364008288293127A009DA603EEE988F2EE2C5FBDB873C2AEED01BDAE827B0D0130E20404102020240044080820404048008000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3,4-dichlorophenyl)-6-methoxy-7-[(4,5,6-trimethylmorpholin-2-yl)methoxy]quinazolin-4-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3,4-dichlorophenyl)-6-methoxy-7-[(4,5,6-trimethyl-2-morpholinyl)methoxy]-4-quinazolinamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(3,4-dichlorophenyl)-6-methoxy-7-[(4,5,6-trimethylmorpholin-2-yl)methoxy]quinazolin-4-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3,4-dichlorophenyl)-6-methoxy-7-[(4,5,6-trimethylmorpholin-2-yl)methoxy]quinazolin-4-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(3,4-dichlorophenyl)-6-methoxy-7-[(4,5,6-trimethylmorpholin-2-yl)methoxy]quinazolin-4-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (3,4-dichlorophenyl)-[6-methoxy-7-[(4,5,6-trimethylmorpholin-2-yl)methoxy]quinazolin-4-yl]amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C23H26Cl2N4O3/c1-13-14(2)32-16(10-29(13)3)11-31-22-9-20-17(8-21(22)30-4)23(27-12-26-20)28-15-5-6-18(24)19(25)7-15/h5-9,12-14,16H,10-11H2,1-4H3,(H,26,27,28) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 AKMHKNCWEXBULW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 476.1381961 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C23H26Cl2N4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 477.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1C(OC(CN1C)COC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)Cl)Cl)OC)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1C(OC(CN1C)COC2=C(C=C3C(=C2)N=CN=C3NC4=CC(=C(C=C4)Cl)Cl)OC)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 68.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 476.1381961 32 3 0 3 0 0 0 0 1 -1