69925679 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 17 8 8 7 7 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 2 2 3 3 4 4 5 5 6 6 7 7 7 8 9 10 10 10 11 12 13 13 14 15 15 16 16 17 17 18 18 20 21 21 21 19 6 10 8 21 9 20 14 20 8 11 9 12 14 12 11 13 22 23 24 25 15 16 28 17 26 18 27 19 29 19 30 31 32 33 34 1 1 1 1 1 1 2 2 1 2 1 1 2 1 1 2 1 1 1 1 1 2 1 1 1 1 2 1 2 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 2 5.4641 5.4641 8.9561 9.8622 6.3301 8.0622 6.3301 8.0622 5.4641 7.1962 7.1962 4.5981 8.9561 3.732 4.5981 2.866 3.732 2.866 9.8622 5.4641 5.6762 6.0747 7.1962 7.1962 3.732 5.135 8.949 2.3291 3.732 10.3979 6.0841 5.4641 4.8441 -3 -0 2 -0.0347 1.5208 0.5 1.5 1.5 0.5 -1 -0 2 -1.5 2.0347 -1 -2.5 -1.5 -3 -2.5 0.4792 3 -1.5826 -0.8923 -0.62 2.62 -0.38 -2.81 2.6546 -1.19 -3.62 0.1671 3 3.62 3 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 6 7 7 7 8 9 13 13 15 16 17 18 9 20 14 20 8 11 9 12 14 12 11 15 16 17 18 19 19 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 323 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 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 00000371C07B30000400000000000000000000000000000000003C6080000000000000B1F400001E02000000000C0EE19E263FD6F6081400A003346764008288293127A009D8203EEE988D2EA2C5FBDB863C2AEEC01B4AE827B0D0330E24400102000240004880020400048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 7-[(4-chlorophenyl)methoxy]-6-methoxy-quinazoline IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 7-[(4-chlorophenyl)methoxy]-6-methoxyquinazoline IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 7-[(4-chlorophenyl)methoxy]-6-methoxyquinazoline IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 7-[(4-chlorophenyl)methoxy]-6-methoxyquinazoline IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 7-[(4-chlorophenyl)methoxy]-6-methoxy-quinazoline IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 7-(4-chlorobenzyl)oxy-6-methoxy-quinazoline InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H13ClN2O2/c1-20-15-6-12-8-18-10-19-14(12)7-16(15)21-9-11-2-4-13(17)5-3-11/h2-8,10H,9H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 WUDDCIDPLJCQON-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 300.0665554 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H13ClN2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 300.74 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C2C(=C1)C=NC=N2)OCC3=CC=C(C=C3)Cl SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C2C(=C1)C=NC=N2)OCC3=CC=C(C=C3)Cl Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 44.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 300.0665554 21 0 0 0 0 0 0 0 1 -1