22169980 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 8 8 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 2 2 3 3 3 4 4 5 5 6 6 6 7 7 7 8 9 9 10 10 11 11 12 13 13 14 15 15 16 17 17 18 19 19 20 20 21 21 22 22 23 24 24 24 9 10 16 24 6 7 8 8 14 12 14 9 25 26 10 27 28 11 29 30 31 32 12 13 15 16 33 17 18 34 18 19 20 35 21 36 22 37 23 38 23 39 40 41 42 43 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 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 35 36 37 38 39 40 41 42 43 6.3981 2.868 6.3981 7.2641 6.3981 7.2641 5.532 6.3981 7.2641 5.532 5.532 5.532 4.6381 7.2641 4.6381 3.732 8.1301 3.732 8.1301 8.9962 8.9962 9.8622 9.8622 2 7.8747 7.4762 5.32 4.9215 7.4762 7.8747 4.9215 5.32 4.6453 4.6453 3.1963 7.5932 8.9962 8.9962 10.3991 10.3991 2.3079 1.4619 1.6921 -3.25 -0.2742 -1.25 0.25 1.75 -1.75 -1.75 -0.25 -2.75 -2.75 0.25 1.25 -0.2847 1.25 1.7847 0.2292 1.75 1.2708 2.75 1.25 3.25 1.75 2.75 0.2225 -1.8577 -1.1674 -1.1674 -1.8577 -3.3326 -2.6423 -2.6423 -3.3326 -0.9046 2.4046 1.5829 3.06 0.63 3.87 1.44 3.06 0.7606 0.5304 -0.3156 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 8 11 11 12 13 15 16 17 17 19 20 21 22 8 14 12 14 11 12 13 15 16 18 18 19 20 21 22 23 23 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 396 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B30000000000000000000000000000000000000003C7881000000000000B1F400001E00000000000C0CE19F0633F6F7081400A003266264008288292122A00998203E6C988E2EA2C4F9DB8734286CC013D8E827B0C0100E00400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(6-methoxy-2-phenyl-quinazolin-4-yl)morpholine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(6-methoxy-2-phenyl-4-quinazolinyl)morpholine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(6-methoxy-2-phenylquinazolin-4-yl)morpholine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(6-methoxy-2-phenylquinazolin-4-yl)morpholine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(6-methoxy-2-phenyl-quinazolin-4-yl)morpholine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-(6-methoxy-2-phenyl-quinazolin-4-yl)morpholine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H19N3O2/c1-23-15-7-8-17-16(13-15)19(22-9-11-24-12-10-22)21-18(20-17)14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 AHICLFURCBDIJB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.3 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 321.147726857 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H19N3O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 321.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC2=C(C=C1)N=C(N=C2N3CCOCC3)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 COC1=CC2=C(C=C1)N=C(N=C2N3CCOCC3)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 47.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 321.147726857 24 0 0 0 0 0 0 0 1 -1