21002867 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 8 8 7 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 1 1 1 2 2 3 3 3 4 4 4 5 5 6 6 7 7 7 8 8 8 9 9 10 10 11 11 12 12 13 13 14 14 15 16 17 18 18 19 20 20 21 22 22 23 24 25 25 25 9 10 21 25 7 8 11 14 17 38 17 24 19 24 9 26 27 10 28 29 30 31 32 33 12 13 15 34 16 35 15 16 36 37 18 19 20 22 21 39 23 23 40 41 42 43 44 45 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 1 1 1 1 2 1 1 2 1 1 2 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 43 44 45 11.5942 2.868 9.8622 6.3981 7.2641 6.3981 10.7282 9.8622 11.5942 10.7282 8.9962 8.1301 8.9962 7.2641 7.2641 8.1301 6.3981 5.532 5.532 4.6381 3.732 4.6381 3.732 7.2641 2 11.1267 10.3297 9.2516 9.6501 12.2048 11.8063 10.3297 11.1267 8.1301 9.5331 6.7272 8.1301 5.8611 4.6453 4.6453 3.1963 7.801 2.3079 1.4619 1.6921 -2.7673 1.2085 -1.7673 0.2327 1.7327 3.2327 -1.2673 -2.7673 -1.7673 -3.2673 -1.2673 -1.7673 -0.2673 -0.2673 -1.2673 0.2327 1.2327 1.7327 2.7327 1.198 1.7118 3.2673 2.7535 2.7327 1.7052 -0.7924 -0.7924 -2.6597 -3.3499 -1.875 -1.1847 -3.7423 -3.7423 -2.3873 0.0427 -1.5773 0.8527 -0.0773 0.578 3.8873 3.0656 3.0427 2.2433 2.0131 1.167 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 11 11 12 13 14 14 17 18 18 19 20 21 22 17 24 19 24 12 13 15 16 15 16 18 19 20 22 21 23 23 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 410 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BB0000000000000000000000000000000000000003C7881000000000000B1F400001E00100000000C0CE19E0637F6F7C81400A003266364008288293122A009D8203E6C988E2EE2C4F9DB8734286CD013D8E827B0C0100E00408100000200000081020000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-methoxy-N-(4-morpholinophenyl)quinazolin-4-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-methoxy-N-[4-(4-morpholinyl)phenyl]-4-quinazolinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-methoxy-<I>N</I>-(4-morpholin-4-ylphenyl)quinazolin-4-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-methoxy-N-(4-morpholin-4-ylphenyl)quinazolin-4-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (6-methoxyquinazolin-4-yl)-(4-morpholinophenyl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H20N4O2/c1-24-16-6-7-18-17(12-16)19(21-13-20-18)22-14-2-4-15(5-3-14)23-8-10-25-11-9-23/h2-7,12-13H,8-11H2,1H3,(H,20,21,22) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 FBVSBADEZSBGGZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.1 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 336.15862589 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H20N4O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 336.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC2=C(C=C1)N=CN=C2NC3=CC=C(C=C3)N4CCOCC4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC2=C(C=C1)N=CN=C2NC3=CC=C(C=C3)N4CCOCC4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 59.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 336.15862589 25 0 0 0 0 0 0 0 1 -1