57825342 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 49 50 51 52 53 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 1 1 1 1 1 1 1 1 2 2 2 3 3 3 4 4 5 5 6 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 13 13 13 14 14 14 15 16 16 17 17 18 18 19 20 20 20 21 21 22 22 23 24 25 25 25 23 25 13 14 15 16 17 20 12 15 12 19 7 8 12 26 9 27 28 10 29 30 11 31 32 11 33 34 35 36 16 37 38 17 39 40 18 41 42 43 44 19 21 22 45 46 47 23 48 24 49 24 50 51 52 53 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 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 46 47 48 49 50 51 52 53 2.868 6.3981 6.3981 7.2641 6.3981 8.1301 8.9962 8.1301 9.8622 8.9962 9.8622 7.2641 7.2641 5.532 6.3981 7.2641 5.532 5.532 5.532 6.3981 4.6381 4.6381 3.732 3.732 2 7.5932 8.5976 9.3947 7.9181 7.5195 10.0742 10.4728 9.3947 8.5976 10.4728 10.0742 7.8747 7.4762 5.32 4.9215 7.4762 7.8747 4.9215 5.32 5.7781 6.3981 7.0181 4.6453 4.6453 3.1963 2.3079 1.4619 1.6921 0.2258 -0.75 -2.75 0.75 2.25 2.25 1.75 3.25 2.25 3.75 3.25 1.75 -1.25 -1.25 0.25 -2.25 -2.25 0.75 1.75 -3.75 0.2153 2.2847 0.7292 1.7708 0.7225 2.56 1.275 1.275 3.8326 3.1423 1.6674 2.3577 4.225 4.225 3.1423 3.8326 -1.3577 -0.6674 -0.6674 -1.3577 -2.8326 -2.1423 -2.1423 -2.8326 -3.75 -4.37 -3.75 -0.4046 2.9046 2.0829 1.2606 1.0304 0.1844 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 15 18 18 19 21 22 23 12 15 12 19 18 19 21 22 23 24 24 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 420 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BA0000000000000000000000000000000000000003C7881000000000000B1F000001E00000000000D0CC19F0633F6F7081400A003266264008288292122A00998203E6C988C6EA2C4F9DB9434286CC013C8E827B0C0100E00400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-cyclohexyl-6-methoxy-4-(4-methylpiperazin-1-yl)quinazoline IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-cyclohexyl-6-methoxy-4-(4-methyl-1-piperazinyl)quinazoline IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-cyclohexyl-6-methoxy-4-(4-methylpiperazin-1-yl)quinazoline IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-cyclohexyl-6-methoxy-4-(4-methylpiperazin-1-yl)quinazoline IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-cyclohexyl-6-methoxy-4-(4-methylpiperazin-1-yl)quinazoline IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-cyclohexyl-6-methoxy-4-(4-methylpiperazino)quinazoline InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H28N4O/c1-23-10-12-24(13-11-23)20-17-14-16(25-2)8-9-18(17)21-19(22-20)15-6-4-3-5-7-15/h8-9,14-15H,3-7,10-13H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 JXAGOEIZFCPKRL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 340.22631153 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H28N4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 340.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN1CCN(CC1)C2=NC(=NC3=C2C=C(C=C3)OC)C4CCCCC4 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN1CCN(CC1)C2=NC(=NC3=C2C=C(C=C3)OC)C4CCCCC4 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 41.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 340.22631153 25 0 0 0 0 0 0 0 1 -1