71542894 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 8 8 8 9 9 10 11 12 12 13 13 14 14 15 17 18 18 19 20 20 21 21 22 23 23 23 24 24 24 16 15 24 7 10 11 11 19 17 19 7 8 25 26 27 28 9 29 30 10 12 13 14 15 31 16 32 17 18 16 20 21 33 23 22 34 22 35 36 37 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 2 2 1 1 1 1 1 1 2 2 2 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 2 2 5.492 4.6087 5.4573 6.3981 6.3981 5.492 4.5981 4.5981 5.4804 3.732 3.732 6.3406 2.866 2.866 6.3291 7.2407 4.5971 7.2168 8.1408 8.1287 3.7254 2 7.0089 6.6071 6.6071 7.0089 5.8856 5.0874 3.732 3.732 7.2407 7.2024 8.6801 8.6608 3.4216 3.1849 4.0292 2.62 2 1.38 0.0447 2.0447 0.0101 -1.4798 -2.9897 1.5656 0.5239 2.0794 1.5447 0.5447 -0.9899 2.0447 0.0447 -1.4998 1.5447 0.5447 -2.4998 -0.9756 -2.4797 -3.0447 -1.4998 -2.5414 -2.9697 3.0447 1.4595 2.1492 -0.0598 0.63 2.5584 2.5492 2.6647 -0.5753 -0.3556 -3.6646 -1.194 -2.8596 -2.4292 -3.2735 -3.5102 3.0447 3.6647 3.0447 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 9 9 10 11 12 13 14 14 15 17 18 20 21 11 19 17 19 10 12 13 14 15 16 17 18 16 20 21 22 22 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 437 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B21000000000000000000000000000000000000003C7881000000000000B1F400001F00000000000C0CC19F0E33F6F7081400A003266264008288292122A00998203E6C988C2EE2C4F9DB8434286CC013C8E827B0C0B00E00400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(7-fluoro-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-methyl-quinazoline IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(7-fluoro-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-methylquinazoline IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(7-fluoro-6-methoxy-3,4-dihydro-2<I>H</I>-quinolin-1-yl)-2-methylquinazoline IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(7-fluoro-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-methylquinazoline IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(7-fluoranyl-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-methyl-quinazoline IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(7-fluoro-6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-methyl-quinazoline InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H18FN3O/c1-12-21-16-8-4-3-7-14(16)19(22-12)23-9-5-6-13-10-18(24-2)15(20)11-17(13)23/h3-4,7-8,10-11H,5-6,9H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BWLQPPDCRPPZQF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.4 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 2019.06.18 C19H18FN3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 323.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=NC2=CC=CC=C2C(=N1)N3CCCC4=CC(=C(C=C43)F)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=NC2=CC=CC=C2C(=N1)N3CCCC4=CC(=C(C=C43)F)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 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