70322700 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 7 8 8 8 9 9 10 10 11 11 11 12 13 14 16 17 17 17 18 18 19 20 20 21 21 22 23 23 24 24 24 25 22 9 10 14 24 15 18 37 12 19 15 19 9 11 26 27 12 13 15 28 29 13 14 17 30 31 16 32 16 33 34 35 36 20 21 38 22 39 23 40 25 25 41 42 43 44 45 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 2 1 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 10.6418 5.4641 5.4641 8.9446 8.9561 9.8622 3.732 8.0622 4.5981 6.3301 2.866 8.0622 7.1962 6.3301 8.9561 7.1962 2 9.8047 9.8622 9.7932 10.6765 10.6534 11.5367 5.4641 11.5251 3.3335 4.1306 4.9966 4.1996 3.2646 2.4675 7.1962 7.1962 1.69 1.4631 2.31 8.4041 10.3979 9.2527 10.6837 12.0772 6.0841 5.4641 4.8441 12.0584 -3.5272 0.5272 2.5272 -0.5074 2.5619 1.0064 0.5272 1.0272 1.0272 1.0272 1.0272 2.0272 0.5272 2.0272 0.4926 2.5272 0.5272 -1.0174 2.048 -2.0173 -0.5274 -2.5273 -1.0374 3.5272 -2.0373 0.0523 0.0523 1.5022 1.5022 1.5022 1.5022 -0.0928 3.1472 1.0642 0.2172 -0.0097 -0.8112 2.3601 -2.3211 0.0925 -0.7336 3.5272 4.1472 3.5272 -2.3535 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 8 8 8 10 10 12 14 18 18 20 21 22 23 12 19 15 19 12 13 15 13 14 16 16 20 21 22 23 25 25 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 401 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30000400000000000000000000000000000000003C6080000000000000B1F400001E02100000000C0EA19E2637F6F6C81400A003266364008288293127A009D8203EEE988D2EE2C5FBDB863C2AEED01BCAE827B0D0130E20400102020240004080020404048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 6-butoxy-N-(3-chlorophenyl)-7-methoxy-quinazolin-4-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 6-butoxy-N-(3-chlorophenyl)-7-methoxy-4-quinazolinamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 6-butoxy-<I>N</I>-(3-chlorophenyl)-7-methoxyquinazolin-4-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 6-butoxy-N-(3-chlorophenyl)-7-methoxyquinazolin-4-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 6-butoxy-N-(3-chlorophenyl)-7-methoxy-quinazolin-4-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (6-butoxy-7-methoxy-quinazolin-4-yl)-(3-chlorophenyl)amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H20ClN3O2/c1-3-4-8-25-18-10-15-16(11-17(18)24-2)21-12-22-19(15)23-14-7-5-6-13(20)9-14/h5-7,9-12H,3-4,8H2,1-2H3,(H,21,22,23) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 XGSNMYMEALYPLI-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 2021.05.07 357.1244046 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 CCCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Cl)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=CC=C3)Cl)OC 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