68608976 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 8 8 8 7 7 7 7 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 2 2 3 3 4 4 4 5 5 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 13 13 14 14 15 15 16 16 17 17 18 18 19 20 23 23 23 12 13 14 15 22 23 8 9 10 19 22 21 22 21 41 42 11 24 25 12 26 27 13 28 29 14 30 31 32 33 34 35 36 37 16 18 17 38 19 21 20 39 20 40 43 44 45 1 1 1 1 1 1 1 1 1 1 2 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 1 2 1 2 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 2.0038 7.1961 12.4583 3.732 10.7262 11.5923 10.7262 4.5961 3.7359 2.8641 5.4641 2.8718 2 6.3282 8.0602 8.9663 9.8602 8.0602 9.8602 8.9663 10.7262 11.5923 12.4583 4.9928 4.1958 3.9502 4.346 3.2608 2.4637 5.0674 5.8644 2.4751 3.2722 1.7857 1.3898 6.7249 5.9278 8.9734 7.5245 8.9734 11.2632 10.1893 13.0783 12.4583 11.8383 -1.7738 -0.7537 1.2704 -0.7671 1.2704 -0.2296 -1.7296 -0.2638 -1.7671 -0.2704 -0.7604 -2.2704 -0.7738 -0.2571 -0.2504 -0.7642 -0.2296 0.7912 0.7704 1.3051 -0.7296 0.7704 2.2704 0.2127 0.2097 -2.3489 -1.6571 0.2061 0.203 -1.2369 -1.2338 -2.7469 -2.7438 -0.192 -0.8838 0.2194 0.2163 -1.3842 1.1033 1.925 -2.0396 -2.0396 2.2704 2.8904 2.2704 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 15 15 16 17 17 18 19 19 22 21 22 16 18 17 19 21 20 20 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 354 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 00000371E07BB0000000000000000000000000000000000000003C5880000000000000B1F000001E00100000000C0CE19E0633F6F7481400A003266264008288292122A00998203E6C988E2EA2C4F9DB873C28EEC013D8E827B0C0100E00400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methoxy-6-(3-morpholinopropoxy)quinazolin-4-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methoxy-6-[3-(4-morpholinyl)propoxy]-4-quinazolinamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-methoxy-6-(3-morpholinopropoxy)quinazolin-4-yl]amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H22N4O3/c1-21-16-18-14-4-3-12(11-13(14)15(17)19-16)23-8-2-5-20-6-9-22-10-7-20/h3-4,11H,2,5-10H2,1H3,(H2,17,18,19) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BJZUGMHNYUAUQB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 318.16919058 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H22N4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 318.37 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=NC2=C(C=C(C=C2)OCCCN3CCOCC3)C(=N1)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=NC2=C(C=C(C=C2)OCCCN3CCOCC3)C(=N1)N 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 2021.05.07 318.16919058 23 0 0 0 0 0 0 0 1 -1