59213051 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 8 7 7 7 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 4 4 4 5 5 6 6 7 7 7 9 10 10 11 11 12 13 15 15 16 16 16 17 17 17 18 18 19 19 20 20 21 21 23 23 23 24 24 24 22 13 23 14 24 8 16 17 8 12 9 12 8 9 10 11 13 25 14 26 15 14 18 19 27 28 29 30 31 32 20 33 21 34 22 35 22 36 37 38 39 40 41 42 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 2 1 1 1 1 1 2 2 1 1 1 1 1 1 1 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 10.7282 2.868 2.868 6.3981 7.2641 6.3981 5.532 6.3981 5.532 4.6381 4.6381 7.2641 3.732 3.732 8.1301 7.2641 5.532 8.1301 8.9962 8.9962 9.8622 9.8622 2 2.8718 4.6453 4.6453 6.9541 7.801 7.5741 5.222 4.9951 5.8421 7.5932 8.9962 8.9962 10.3991 2.3079 1.4619 1.6921 3.4918 2.8742 2.2518 2.5 -1.0241 1.0241 -2 -0.5 1 -0.5 -1 0.5 -1.0347 1.0347 0.5 -0.5208 0.5208 1 -2.5 -2.5 2 0.5 2.5 1 2 -0.5275 2.0241 -1.6546 1.6546 -3.0369 -2.81 -1.9631 -1.9631 -2.81 -3.0369 2.31 -0.12 3.12 0.69 0.0106 -0.2196 -1.0656 2.0218 2.6441 2.0265 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 7 7 7 9 10 11 13 15 15 18 19 20 21 8 12 9 12 8 9 10 11 13 14 14 18 19 20 21 22 22 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 404 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 0 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 00000371E07B31000000000000000000000000000000000000003C6080000000000000B1F400001F00000000000C0C819F0E33F6F7081400A003266264008288292122A00998203EEC988D2EA2C4F9DB84342A6EC01BCAE827B0D0130E20400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(4-fluorophenyl)-6,7-dimethoxy-N,N-dimethyl-quinazolin-4-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(4-fluorophenyl)-6,7-dimethoxy-N,N-dimethyl-4-quinazolinamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(4-fluorophenyl)-6,7-dimethoxy-<I>N</I>,<I>N</I>-dimethylquinazolin-4-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(4-fluorophenyl)-6,7-dimethoxy-N,N-dimethylquinazolin-4-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-(4-fluorophenyl)-6,7-dimethoxy-N,N-dimethyl-quinazolin-4-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-(4-fluorophenyl)-6,7-dimethoxy-quinazolin-4-yl]-dimethyl-amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H18FN3O2/c1-22(2)18-13-9-15(23-3)16(24-4)10-14(13)20-17(21-18)11-5-7-12(19)8-6-11/h5-10H,1-4H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 MXAXACSHFIVFPN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 327.13830499 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H18FN3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 327.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN(C)C1=NC(=NC2=CC(=C(C=C21)OC)OC)C3=CC=C(C=C3)F SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN(C)C1=NC(=NC2=CC(=C(C=C21)OC)OC)C3=CC=C(C=C3)F Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 47.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 327.13830499 24 0 0 0 0 0 0 0 1 -1