70682807 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 17 8 8 7 7 7 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 4 5 5 6 6 7 7 7 8 10 10 11 12 13 14 14 15 15 16 16 17 17 18 19 19 19 20 21 21 21 22 23 23 23 24 24 24 25 25 25 20 11 19 12 21 9 14 28 8 18 9 18 8 9 10 13 11 26 12 13 27 15 17 16 29 20 23 22 30 31 24 32 33 22 25 34 35 36 37 38 39 40 41 42 43 44 45 1 1 1 1 1 1 1 1 1 2 2 1 1 1 2 2 1 1 2 1 1 2 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 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 43 44 45 10.6532 3.732 3.732 7.2125 7.2241 8.1301 6.3301 6.3301 7.2241 5.4641 4.5981 4.5981 5.4641 8.0727 8.0611 8.9213 8.9444 8.1301 2.866 9.7931 3.732 9.8046 8.9098 2 2.866 5.4641 5.4641 6.672 7.5206 8.9516 8.6659 3.2646 2.4675 4.3426 3.9441 10.3451 8.2898 8.9026 9.5297 1.69 1.4631 2.31 3.176 2.3291 2.556 -2.7973 0.2772 2.2772 -0.7574 2.3119 0.7564 0.7772 1.7772 0.2426 0.2772 0.7772 1.7772 2.2772 -1.2674 -2.2673 -2.7773 -0.7774 1.798 0.7772 -2.2873 3.2772 -1.2874 -3.7772 0.2772 3.7772 -0.3428 2.8972 -1.0612 -2.5711 -0.1575 2.1101 1.2522 1.2522 3.1696 3.8598 -0.9836 -3.77 -4.3972 -3.7844 0.8141 -0.0328 -0.2597 4.3142 4.0872 3.2403 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 7 7 7 8 10 11 12 14 14 15 16 17 20 8 18 9 18 8 9 10 13 11 12 13 15 17 16 20 22 22 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 414 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 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 00000371E07B30000400000000000000000000000000000000003C6080000000000000B1F400001E02100000000C0EA19E2637F6F6C81400A003266364008288293127A009D8203EEE988D2EE2C5FBDB863C2AEED01BCAE827B0D0130E20404142000340004080828400068000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-chloro-3-methyl-phenyl)-6,7-diethoxy-quinazolin-4-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-chloro-3-methylphenyl)-6,7-diethoxy-4-quinazolinamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-(4-chloro-3-methylphenyl)-6,7-diethoxyquinazolin-4-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-chloro-3-methylphenyl)-6,7-diethoxyquinazolin-4-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-(4-chloranyl-3-methyl-phenyl)-6,7-diethoxy-quinazolin-4-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (4-chloro-3-methyl-phenyl)-(6,7-diethoxyquinazolin-4-yl)amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H20ClN3O2/c1-4-24-17-9-14-16(10-18(17)25-5-2)21-11-22-19(14)23-13-6-7-15(20)12(3)8-13/h6-11H,4-5H2,1-3H3,(H,21,22,23) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 FTVNPAIKBAHGAF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 357.1244046 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H20ClN3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 357.8 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)Cl)C)OCC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)Cl)C)OCC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 56.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 357.1244046 25 0 0 0 0 0 0 0 1 -1