70210160 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 8 7 7 7 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 2 2 3 3 4 4 5 5 6 6 6 7 8 8 10 10 11 11 11 12 13 14 15 15 15 16 17 17 18 19 19 19 20 20 21 21 22 23 23 24 25 25 25 8 11 9 25 12 16 7 22 14 22 7 10 14 9 9 13 13 26 12 27 28 17 29 19 16 18 20 21 18 30 31 32 33 34 23 35 24 36 37 24 38 39 40 41 42 1 1 1 1 2 1 2 1 1 2 1 1 2 1 2 1 2 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 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 7.2641 8.9962 4.666 10.7561 11.6622 9.8622 9.8622 8.1301 8.9962 8.9962 6.3981 5.5321 8.1301 10.7561 3.8 3.8 5.5321 4.666 10.7446 2.9061 2.9061 11.6622 2 2 8.1301 8.9962 6.7966 5.9996 7.5932 6.069 4.666 11.3645 10.7374 10.1246 2.9132 2.9132 12.1979 1.4643 1.4643 7.8201 7.5932 8.4401 -0.75 -1.75 -0.25 -0.7846 0.7708 0.75 -0.25 -0.25 -0.75 1.25 -0.25 -0.75 0.75 1.2847 -1.75 -0.75 -1.75 -2.25 2.2846 -2.2846 -0.2153 -0.2708 -1.7708 -0.7292 -2.25 1.87 0.225 0.225 1.06 -2.06 -2.87 2.2918 2.9046 2.2775 -2.9046 0.4047 -0.5828 -2.0828 -0.4171 -1.713 -2.56 -2.7869 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 5 5 6 6 6 7 8 8 10 12 15 15 15 16 17 20 21 23 12 16 7 22 14 22 7 10 14 9 9 13 13 17 16 18 20 21 18 23 24 24 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 435 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 00000371E07B30000000000000000000000000000000000000003C7881000000000000B1FE00001E00000000000C0CA19E0637D6F6081400A003246364048288293162A009D8203FEC988F2EE2C4F9DB873C2AEEC01BDAE827B0D0B30E2000010200025000400002040004A000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 8-methoxy-4-methyl-7-(2-quinolylmethoxy)quinazoline IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 8-methoxy-4-methyl-7-(2-quinolinylmethoxy)quinazoline IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 8-methoxy-4-methyl-7-(quinolin-2-ylmethoxy)quinazoline IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 8-methoxy-4-methyl-7-(quinolin-2-ylmethoxy)quinazoline IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 8-methoxy-4-methyl-7-(quinolin-2-ylmethoxy)quinazoline IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 8-methoxy-4-methyl-7-(2-quinolylmethoxy)quinazoline InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H17N3O2/c1-13-16-9-10-18(20(24-2)19(16)22-12-21-13)25-11-15-8-7-14-5-3-4-6-17(14)23-15/h3-10,12H,11H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 HOFPWQAGXBITAQ-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 2021.05.07 331.132076794 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H17N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 331.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C2C=CC(=C(C2=NC=N1)OC)OCC3=NC4=CC=CC=C4C=C3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C2C=CC(=C(C2=NC=N1)OC)OCC3=NC4=CC=CC=C4C=C3 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 57.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 331.132076794 25 0 0 0 0 0 0 0 1 -1