22692820 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 17 17 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 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 5 6 6 6 7 7 8 8 9 9 9 10 10 10 11 11 12 12 13 14 14 15 15 16 16 17 17 18 19 19 20 20 21 22 23 23 26 27 27 27 28 28 28 22 24 21 27 25 28 9 10 13 11 12 14 13 24 18 24 11 29 30 12 31 32 33 34 35 36 15 16 17 18 19 22 37 23 38 20 21 39 25 40 25 26 26 41 42 43 44 45 46 47 48 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 2 1 1 1 1 2 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 43 44 45 46 47 48 4.5567 8.1282 2.866 2.866 6.3465 6.3233 7.2641 6.358 5.4747 7.2067 5.4632 7.1951 6.358 6.3118 5.4641 5.44 7.172 5.4641 4.5981 4.5981 3.732 5.4285 7.1604 7.2641 3.732 6.2887 2 2.866 5.2694 4.863 7.816 7.4254 4.8539 5.2444 7.4004 7.8069 4.9067 7.7125 4.5981 4.5981 7.6937 6.2815 2.31 1.4631 1.69 3.486 2.866 2.246 -4.4971 3.5413 1.5171 3.5171 0.4825 -1.5173 1.9963 3.5518 -0.0074 -0.0274 -1.0074 -1.0274 1.4825 -2.5173 2.0171 -3.0072 -3.0272 3.0171 1.5171 3.5171 2.0171 -4.0072 -4.0272 3.038 3.0171 -4.5171 2.0171 4.5171 0.5776 -0.108 -0.1422 0.5527 -0.8926 -1.5875 -1.6124 -0.9268 -2.691 -2.7235 0.8971 4.1371 -4.3434 -5.1371 2.5541 2.3271 1.4802 4.5171 5.1371 4.5171 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 8 13 14 14 15 15 16 17 18 19 20 21 22 23 13 24 18 24 15 16 17 18 19 22 23 20 21 25 25 26 26 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 509 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BB0000600000000000000000000000000000000003C7881000000000000B1F400001E02000000000C0EC19E2633F6F7081400A003266264008288292127A00998203EEE988D6EA2C5FBDB94342A6EC01BCAE827B0D0130E20400102020240004080020404048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-6,7-dimethoxy-quinazoline IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-chloro-4-[4-(3-chlorophenyl)-1-piperazinyl]-6,7-dimethoxyquinazoline IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazoline IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazoline IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-chloranyl-4-[4-(3-chlorophenyl)piperazin-1-yl]-6,7-dimethoxy-quinazoline IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-chloro-4-[4-(3-chlorophenyl)piperazino]-6,7-dimethoxy-quinazoline InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H20Cl2N4O2/c1-27-17-11-15-16(12-18(17)28-2)23-20(22)24-19(15)26-8-6-25(7-9-26)14-5-3-4-13(21)10-14/h3-5,10-12H,6-9H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HKYMEXSDOTYDAG-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 2021.05.07 418.0963313 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H20Cl2N4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 419.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)N3CCN(CC3)C4=CC(=CC=C4)Cl)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C2C(=C1)C(=NC(=N2)Cl)N3CCN(CC3)C4=CC(=CC=C4)Cl)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 50.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 418.0963313 28 0 0 0 0 0 0 0 1 -1