69791079 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 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 3 4 4 5 5 5 6 6 7 7 8 8 8 9 10 12 12 12 13 13 14 15 15 16 18 18 19 19 20 21 21 22 23 24 24 24 25 25 25 10 39 22 25 9 11 27 10 11 11 17 30 14 17 16 17 9 10 13 15 26 14 16 18 19 28 21 20 29 24 22 31 20 32 33 23 34 23 35 36 37 38 40 41 42 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 2 2 1 1 2 1 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 1 1 1 1 1 1 10 1 4 8 26 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 4.666 11.6603 4.666 5.5321 6.3981 8.1301 7.2641 3.8 3.8 4.666 5.5321 8.9962 2.9061 8.9962 2.9061 8.1301 7.2641 9.8901 2 2 9.8901 10.7962 10.7962 8.1301 12.5282 4.1291 4.666 2.9132 2.9132 6.3981 9.8829 1.4643 1.4643 9.8829 11.3319 8.7501 8.1301 7.5101 4.1291 12.2203 13.0663 12.8361 1.655 0.6792 -1.345 0.155 -1.345 -1.345 0.155 0.155 -0.845 0.655 -0.845 0.155 0.6897 -0.845 -1.3797 0.655 -0.845 0.6897 0.1758 -0.8658 -1.3797 0.1758 -0.8658 1.655 0.1825 0.965 -1.965 1.3096 -1.9996 -1.965 1.3096 0.4879 -1.1779 -1.9996 -1.1779 1.655 2.275 1.655 1.965 -0.3556 -0.1254 0.7206 8 8 8 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 6 6 7 7 8 8 9 10 12 12 12 13 14 15 18 19 21 22 14 17 16 17 9 13 15 1 14 16 18 19 21 20 22 20 23 23 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 502 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 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BB0000000000000000000000000000000000000003C6081000000000000B1F400001E00100800000C0CE19E0633D6F6C81600A003246264008288292122A0099820366C988C3EA2C4F9DB8474286ED01348F827B0C0B00E00400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-1,4-dihydroquinazolin-4-ol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(6-methoxy-4-methyl-2-quinazolinyl)amino]-1,4-dihydroquinazolin-4-ol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-1,4-dihydroquinazolin-4-ol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(6-methoxy-4-methylquinazolin-2-yl)amino]-1,4-dihydroquinazolin-4-ol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-1,4-dihydroquinazolin-4-ol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[(6-methoxy-4-methyl-quinazolin-2-yl)amino]-1,4-dihydroquinazolin-4-ol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H17N5O2/c1-10-13-9-11(25-2)7-8-15(13)21-17(19-10)23-18-20-14-6-4-3-5-12(14)16(24)22-18/h3-9,16,24H,1-2H3,(H2,19,20,21,22,23) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ONUFEJSRVAPDCC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 335.13822480 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H17N5O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 335.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C2C=C(C=CC2=NC(=N1)NC3=NC(C4=CC=CC=C4N3)O)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=C2C=C(C=CC2=NC(=N1)NC3=NC(C4=CC=CC=C4N3)O)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 91.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 335.13822480 25 1 0 1 0 0 0 0 1 -1