71542989 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 8 8 7 7 7 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 2 2 3 3 3 4 4 5 5 6 6 6 7 7 7 8 8 9 9 10 11 12 12 13 13 14 14 15 16 17 17 17 18 19 19 20 21 21 21 22 22 23 23 24 25 25 25 26 26 26 6 17 15 26 8 10 11 11 20 18 20 7 9 27 8 28 29 30 31 10 12 13 14 15 32 16 33 18 19 16 34 21 35 36 22 23 37 25 38 39 40 24 41 24 42 43 44 45 46 47 48 49 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 6 1 7 9 27 3 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 6.3981 2.868 6.3981 5.532 6.3981 6.3981 7.2641 7.2641 5.532 5.532 6.3981 4.6381 4.6381 7.2641 3.732 3.732 7.2641 7.2641 8.158 5.532 7.2641 8.158 9.0641 9.0641 4.666 2 6.935 7.8747 7.4762 7.4762 7.8747 4.6453 4.6453 3.1963 7.4762 7.8747 8.1509 7.8841 7.2641 6.6441 8.1509 9.5998 9.5998 4.356 4.1291 4.976 1.6921 1.4619 2.3079 2.2673 1.2915 -0.7327 -2.2327 -3.7327 1.2673 0.7673 -0.2327 0.7673 -0.2327 -1.7327 1.302 -0.7673 -2.2327 0.7881 -0.2535 2.7673 -3.2327 -1.698 -3.2327 3.7673 -3.7673 -2.2118 -3.2535 -3.7327 0.7948 1.5773 0.6597 1.3499 -0.8153 -0.125 1.922 -1.3873 -0.5656 2.1847 2.875 -1.078 3.7673 4.3873 3.7673 -4.3873 -1.8998 -3.5656 -3.1957 -4.0427 -4.2696 1.333 0.4869 0.2567 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 9 9 10 11 12 13 14 14 15 18 19 22 23 11 20 18 20 1 10 12 13 14 15 16 18 19 16 22 23 24 24 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 463 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B30000000000000000000000000000000000000003C7881000000000000B1F400001E00000000000C1CE19F0633F6F7081400A003266264008288292122A00998203E6C988C2EE2C4F9DB8634286EC013C8E827F0C0B00E00400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-(4-ethoxy-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-(4-ethoxy-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-(4-ethoxy-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-(4-ethoxy-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-(4-ethoxy-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-(4-ethoxy-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/C21H23N3O2/c1-4-26-20-11-12-24(19-10-9-15(25-3)13-17(19)20)21-16-7-5-6-8-18(16)22-14(2)23-21/h5-10,13,20H,4,11-12H2,1-3H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QONBBKBZAZZZEV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 349.17902698 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C21H23N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 349.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1CCN(C2=C1C=C(C=C2)OC)C3=NC(=NC4=CC=CC=C43)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCOC1CCN(C2=C1C=C(C=C2)OC)C3=NC(=NC4=CC=CC=C43)C 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 2021.05.07 349.17902698 26 1 0 1 0 0 0 0 1 -1