24855339 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 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 1 2 2 3 3 4 4 4 5 5 5 6 6 7 7 8 8 8 9 9 10 10 10 11 11 12 12 13 14 14 15 15 16 16 17 18 18 19 20 20 21 21 22 23 24 26 26 26 27 27 27 19 22 26 25 27 9 10 13 8 11 35 13 24 17 24 9 12 28 29 30 11 31 32 33 34 15 16 14 17 18 19 36 20 37 21 22 38 23 23 39 25 40 25 41 42 43 44 45 46 47 48 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 2 1 1 1 2 1 1 2 1 2 1 1 2 1 1 1 1 2 1 1 1 1 1 1 1 1 8 5 9 12 28 3 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 2 2.8667 2.8667 6.3472 6.3241 7.2648 6.3588 5.4639 5.4754 7.2074 7.1958 4.5921 6.3588 5.4648 3.7319 4.5806 5.4648 4.5988 2.8602 3.7088 4.5988 3.7328 2.8486 7.2648 3.7328 2.0007 2.8667 4.9306 5.2701 4.8636 7.8167 7.4261 7.4011 7.8076 6.3169 3.7391 5.1139 4.5988 3.7016 4.5988 2.3081 7.8006 2.3107 1.4638 1.6907 3.4867 2.8667 2.2467 -1.7323 0.7522 2.7522 -0.2824 -2.2823 1.2313 2.7868 -1.7723 -0.7724 -0.7924 -1.7924 -2.2623 0.7175 1.2522 -1.7523 -3.2622 2.2522 0.7522 -2.2422 -3.7522 2.7522 1.2522 -3.2422 2.273 2.2522 1.2522 3.7522 -1.4561 -0.1874 -0.873 -0.9071 -0.2123 -2.3774 -1.6918 -2.9023 -1.1323 -3.5784 0.1322 -4.3721 3.3722 -3.546 2.585 1.7891 1.5622 0.7152 3.7522 4.3722 3.7522 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 8 12 12 13 14 14 15 16 17 18 19 20 21 22 13 24 17 24 12 15 16 14 17 18 19 20 21 22 23 23 25 25 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 485 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 1 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 00000371E07BB0000400000000000000000000000000000000003C7881000000000000B1F400001E02100000000C2EC19E2637F6F7C81400A003266364008288293127A009D8A03EEE988D6EA2C5FBDB94342A6ED01BCAE827B0D0930E20400122000240004080024400048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[3-(3-chlorophenyl)piperazin-1-yl]-6,7-dimethoxy-quinazoline IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[3-(3-chlorophenyl)-1-piperazinyl]-6,7-dimethoxyquinazoline IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[3-(3-chlorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazoline IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[3-(3-chlorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazoline IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[3-(3-chlorophenyl)piperazin-1-yl]-6,7-dimethoxy-quinazoline IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[3-(3-chlorophenyl)piperazino]-6,7-dimethoxy-quinazoline InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H21ClN4O2/c1-26-18-9-15-16(10-19(18)27-2)23-12-24-20(15)25-7-6-22-17(11-25)13-4-3-5-14(21)8-13/h3-5,8-10,12,17,22H,6-7,11H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 CRNOEFZPIIHKMY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 384.1353036 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H21ClN4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 384.9 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C2C(=C1)C(=NC=N2)N3CCNC(C3)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)N3CCNC(C3)C4=CC(=CC=C4)Cl)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 59.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 384.1353036 27 1 0 1 0 0 0 0 1 -1