56593278 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 54 55 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 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 2 2 3 3 3 4 4 5 5 5 6 6 7 7 7 7 8 8 8 9 9 11 12 12 12 13 13 13 14 14 15 15 16 16 17 18 18 19 19 20 20 21 22 23 23 24 25 25 26 26 27 28 28 28 29 29 29 21 28 22 29 11 12 13 10 11 14 15 18 10 17 8 9 10 30 9 31 32 33 34 16 14 35 36 15 37 38 39 40 41 42 17 19 20 21 23 22 43 24 44 25 24 26 45 46 27 47 27 48 49 50 51 52 53 54 55 1 1 1 1 1 1 1 1 2 1 1 1 2 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 2 2 1 2 1 2 1 1 1 1 1 1 2 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 49 50 51 52 53 54 55 8.1301 2.868 6.3981 7.2641 6.3981 6.3981 8.1301 9.1301 8.6301 7.2641 6.3981 5.532 7.2641 5.532 7.2641 5.532 5.532 6.3981 4.6381 4.6381 7.2641 3.732 5.532 3.732 7.2641 5.532 6.3981 8.9962 2 7.6917 9.2378 9.7127 9.1051 8.1552 5.32 4.9215 7.8747 7.4762 4.9215 5.32 7.4762 7.8747 4.6453 4.6453 4.9951 3.1963 7.801 4.9951 6.3981 8.6862 9.5331 9.3062 2.3079 1.4619 1.6921 -2.433 1.5428 0.567 2.067 -1.433 3.567 3.567 3.567 4.433 3.067 1.567 0.067 0.067 -0.933 -0.933 2.067 3.067 -2.433 1.5323 3.6016 -2.933 2.0462 -2.933 3.0878 -3.933 -3.933 -4.433 -2.933 2.0395 4.0054 2.9564 3.779 4.8315 4.8315 0.6496 -0.0407 -0.0407 0.6496 -0.8254 -1.5156 -1.5156 -0.8254 0.9124 4.2216 -2.623 3.3999 -4.243 -4.243 -5.053 -3.47 -3.243 -2.3961 2.5776 2.3474 1.5014 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 6 6 11 16 16 17 18 18 19 20 21 22 23 25 26 10 11 10 17 16 17 19 20 21 23 22 24 25 24 26 27 27 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 537 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BB0000000000000000000000018000000000000003C7881000000000000B1F400001E00000000000D0CC19F0633F6F7081400A003266264008288292122A00998203F6C988E6EA2C4F9DB9534286CC013D8E827B0C0100E00400100000210000080020000042000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-cyclopropyl-6-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-cyclopropyl-6-methoxy-4-[4-(2-methoxyphenyl)-1-piperazinyl]quinazoline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-cyclopropyl-6-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-cyclopropyl-6-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-cyclopropyl-6-methoxy-4-[4-(2-methoxyphenyl)piperazin-1-yl]quinazoline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-cyclopropyl-6-methoxy-4-[4-(2-methoxyphenyl)piperazino]quinazoline InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C23H26N4O2/c1-28-17-9-10-19-18(15-17)23(25-22(24-19)16-7-8-16)27-13-11-26(12-14-27)20-5-3-4-6-21(20)29-2/h3-6,9-10,15-16H,7-8,11-14H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 PFRUEKPBGILXQJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 390.20557608 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C23H26N4O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 390.5 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC2=C(C=C1)N=C(N=C2N3CCN(CC3)C4=CC=CC=C4OC)C5CC5 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC2=C(C=C1)N=C(N=C2N3CCN(CC3)C4=CC=CC=C4OC)C5CC5 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 50.7 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 390.20557608 29 0 0 0 0 0 0 0 1 -1