59212954 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 9 8 7 7 7 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 2 2 3 3 3 4 4 5 5 6 6 6 6 7 7 7 8 8 9 9 10 11 11 12 13 13 14 15 15 16 17 17 18 19 20 20 21 21 22 22 23 24 24 24 19 16 24 8 9 10 10 14 12 14 7 8 25 26 9 27 28 29 30 31 32 11 12 13 15 16 33 17 18 34 18 19 20 35 21 22 36 23 37 23 38 39 40 41 42 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 2 1 2 1 1 1 1 2 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 8.9962 2.868 6.3981 7.2641 6.3981 5.8981 6.8981 5.5891 7.2071 6.3981 5.532 5.532 4.6381 7.2641 4.6381 3.732 8.1301 3.732 8.9962 8.1301 9.8622 8.9962 9.8622 2 5.2916 5.9629 6.8333 7.5045 5.2791 5.0227 7.7735 7.5171 4.6453 4.6453 3.1963 7.5932 10.3991 8.9962 10.3991 2.3079 1.4619 1.6921 0.0194 -0.5047 -1.4806 0.0194 1.5194 -3.0194 -3.0194 -2.0684 -2.0684 -0.4806 0.0194 1.0194 -0.5152 1.0194 1.5541 -0.0014 1.5194 1.0402 1.0194 2.5194 1.5194 3.0194 2.5194 -0.0081 -3.1483 -3.636 -3.636 -3.1483 -1.5314 -2.3205 -2.3205 -1.5314 -1.1352 2.174 1.3523 2.8294 1.2094 3.6394 2.8294 0.5301 0.2999 -0.5462 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 10 11 11 12 13 15 16 17 17 19 20 21 22 10 14 12 14 11 12 13 15 16 18 18 19 20 21 22 23 23 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 417 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B21000000000000000000000000000001600000003C6080000000000000B1F400001F00000000000C0CC19F0E33F6F7081400A003266264008288292122A00998203E6C988C2EA2C4F9DB8434286CC013C8E827B0C0100E00400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-fluorophenyl)-6-methoxy-4-pyrrolidin-1-yl-quinazoline IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-fluorophenyl)-6-methoxy-4-(1-pyrrolidinyl)quinazoline IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-fluorophenyl)-6-methoxy-4-pyrrolidin-1-ylquinazoline IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-fluorophenyl)-6-methoxy-4-pyrrolidin-1-ylquinazoline IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-fluorophenyl)-6-methoxy-4-pyrrolidin-1-yl-quinazoline IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-fluorophenyl)-6-methoxy-4-pyrrolidino-quinazoline InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H18FN3O/c1-24-13-8-9-17-15(12-13)19(23-10-4-5-11-23)22-18(21-17)14-6-2-3-7-16(14)20/h2-3,6-9,12H,4-5,10-11H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 CWUQQKVRCMRYGG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.14339037 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H18FN3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC2=C(C=C1)N=C(N=C2N3CCCC3)C4=CC=CC=C4F SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 COC1=CC2=C(C=C1)N=C(N=C2N3CCCC3)C4=CC=CC=C4F Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 38.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.14339037 24 0 0 0 0 0 0 0 1 -1