57207714 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 9 10 10 11 11 13 13 13 14 15 16 16 17 17 18 18 19 21 21 22 22 23 24 24 25 26 26 26 27 27 27 23 19 26 20 27 8 9 12 10 11 36 12 14 12 15 10 28 29 11 30 31 32 33 34 35 14 15 17 16 18 21 22 19 37 20 38 20 23 39 24 40 25 25 41 42 43 44 45 46 47 48 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 2 1 1 2 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 43 44 45 46 47 48 4.666 2.868 2.868 8.1301 9.8622 7.2641 6.3981 8.9962 8.1301 9.8622 8.9962 7.2641 5.532 6.3981 5.532 6.3981 4.6381 4.6381 3.732 3.732 5.532 7.2641 5.532 7.2641 6.3981 2 2.8718 8.5976 9.3947 7.9181 7.5195 10.0742 10.4728 9.3947 8.5976 10.3991 4.6453 4.6453 4.9951 7.801 7.801 6.3981 2.3079 1.4619 1.6921 3.4918 2.8742 2.2518 -3.25 -0.2742 1.7742 1.75 2.75 0.25 1.75 1.25 2.75 1.75 3.25 1.25 0.25 -0.25 1.25 -1.25 -0.2847 1.7847 0.2292 1.2708 -1.75 -1.75 -2.75 -2.75 -3.25 0.2225 2.7741 0.7751 0.7751 3.3326 2.6423 1.1674 1.8577 3.725 3.725 3.06 -0.9046 2.4046 -1.44 -1.44 -3.06 -3.87 0.7606 0.5304 -0.3156 2.7718 3.3941 2.7765 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 13 13 13 15 16 16 17 18 19 21 22 23 24 12 14 12 15 14 15 17 18 21 22 19 20 20 23 24 25 25 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 479 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 00000371E07BB0000400000000000000000000000000000000003C7881000000000000B1F400001E02100000000C0EC19E2633D6F7C81400A003246264008288292127A00998A03EEE988D6EA2C5FBDB94342A6ED01BCAE827B0D0F30E20400122000240004080024400048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(3-chlorophenyl)-6,7-dimethoxy-2-piperazin-1-yl-quinazoline IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(3-chlorophenyl)-6,7-dimethoxy-2-(1-piperazinyl)quinazoline IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(3-chlorophenyl)-6,7-dimethoxy-2-piperazin-1-ylquinazoline IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(3-chlorophenyl)-6,7-dimethoxy-2-piperazin-1-ylquinazoline IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(3-chlorophenyl)-6,7-dimethoxy-2-piperazin-1-yl-quinazoline IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(3-chlorophenyl)-6,7-dimethoxy-2-piperazino-quinazoline InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H21ClN4O2/c1-26-17-11-15-16(12-18(17)27-2)23-20(25-8-6-22-7-9-25)24-19(15)13-4-3-5-14(21)10-13/h3-5,10-12,22H,6-9H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DBNRRTOKNURJRC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.6 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)N3CCNCC3)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)N3CCNCC3)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 0 0 0 0 0 0 0 1 -1