69907652 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 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 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 9 9 10 10 10 11 13 13 14 14 16 17 17 18 19 19 19 20 20 21 23 23 24 25 25 25 26 26 26 21 23 14 19 15 25 22 26 12 17 29 11 18 12 18 22 24 11 12 13 16 15 27 15 16 28 20 21 30 23 31 32 22 33 24 34 35 36 37 38 39 40 41 42 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 2 1 1 1 2 2 1 1 2 1 1 2 1 1 1 1 1 1 1 2 1 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 6.3233 2 2.866 2.866 9.8104 6.3465 6.358 7.2641 8.927 5.4641 5.4641 6.358 4.5981 3.732 3.732 4.5981 7.2067 7.2641 2.866 8.0784 7.1951 8.9386 2 8.0553 2.866 10.6705 4.5981 4.5981 5.806 7.7998 3.4766 3.0781 8.0856 1.3894 1.788 8.0481 2.246 2.866 3.486 10.3543 11.2039 10.9867 -3.7572 3.7772 1.2772 -0.7228 -1.7974 -1.7574 1.3119 -0.2436 -3.2873 -0.2228 0.7772 -0.7574 -0.7228 0.7772 -0.2228 1.2772 -2.2673 0.7981 2.2772 -1.7774 -3.2673 -2.2874 2.7772 -3.7772 -1.7228 -2.3074 -1.3428 1.8972 -2.0611 1.1101 2.1696 2.8598 -1.1574 2.8849 2.1946 -4.3972 -1.7228 -2.3428 -1.7228 -2.8407 -2.6236 -1.7741 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 8 9 9 10 10 10 11 13 14 14 17 17 20 21 11 18 12 18 22 24 11 12 13 16 15 15 16 20 21 22 24 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 437 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BB0000600000000000000000000000000000000003C5880000000000000B1FC00001E02100000000C0FE19E663FF6F6C81400A003366764008288293127A001D8203EEF988D2EE2C5FADBC63C2AEED01BCAE827B0D0130E20400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(2-chloroethoxy)-N-(5-chloro-2-methoxy-4-pyridyl)-6-methoxy-quinazolin-4-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(2-chloroethoxy)-N-(5-chloro-2-methoxy-4-pyridinyl)-6-methoxy-4-quinazolinamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(2-chloroethoxy)-<I>N</I>-(5-chloro-2-methoxypyridin-4-yl)-6-methoxyquinazolin-4-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(2-chloroethoxy)-N-(5-chloro-2-methoxypyridin-4-yl)-6-methoxyquinazolin-4-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(5-chloranyl-2-methoxy-pyridin-4-yl)-7-(2-chloroethyloxy)-6-methoxy-quinazolin-4-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 [7-(2-chloroethoxy)-6-methoxy-quinazolin-4-yl]-(5-chloro-2-methoxy-4-pyridyl)amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H16Cl2N4O3/c1-24-14-5-10-12(6-15(14)26-4-3-18)21-9-22-17(10)23-13-7-16(25-2)20-8-11(13)19/h5-9H,3-4H2,1-2H3,(H,20,21,22,23) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BURGWWHOOVYJNU-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 394.0599458 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H16Cl2N4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 395.2 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=NC=C3Cl)OC)OCCCl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=NC=C3Cl)OC)OCCCl Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 78.4 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 394.0599458 26 0 0 0 0 0 0 0 1 -1