56643210 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 46 47 48 49 50 9 9 9 8 8 8 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 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 5 5 6 6 7 7 8 9 9 9 10 10 11 11 12 12 12 13 13 13 15 16 17 17 17 18 19 19 20 21 22 22 23 23 24 24 25 26 26 27 28 29 29 30 30 30 31 31 31 31 18 23 21 26 29 49 32 50 32 14 17 36 14 27 16 27 14 15 16 15 18 19 33 20 21 34 35 22 20 37 38 24 25 39 25 29 28 40 41 28 30 43 42 44 45 46 47 48 32 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 2 1 1 2 2 1 1 1 1 1 1 1 2 2 1 1 2 1 1 2 1 1 1 1 2 1 1 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 44 45 46 47 48 49 50 4.1143 2.7483 3.1143 2.6316 7.8674 0.2522 5.3463 4.4803 6.2166 7.1342 6.2281 5.3342 3.6021 6.2281 4.4682 5.3342 7.0768 2.7361 3.6021 4.4682 7.0652 1.8226 1.6534 6.2494 1.1534 7.5474 7.1342 6.5474 1.2467 8.1258 3.6143 4.4803 4.4682 7.686 7.2955 5.6761 3.0652 4.4682 1.6937 5.662 0.5368 6.1772 7.6699 1.2034 1.8483 7.62 8.4843 8.6315 0 5.8833 0 0.366 1.732 8.7943 6.6472 7.5683 0.866 2.366 8.7542 10.268 11.8235 10.2888 10.2888 9.7542 9.7888 11.2888 8.2442 9.7888 11.2888 11.7888 7.2443 10.1956 8.5864 6.6659 9.4524 5.6998 11.3096 5.7114 7.6728 4.884 0.866 1.366 9.1688 8.1295 8.8244 8.4505 11.5988 12.4088 10.802 6.8643 9.5172 5.214 11.6217 7.0544 7.5229 4.5254 4.3783 5.2426 7.0019 1.176 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 10 10 11 11 12 12 12 13 13 16 18 19 21 22 23 24 26 18 23 21 26 14 27 16 27 14 15 16 15 19 20 22 20 24 25 25 28 28 0 Compound Canonicalized 5 2012.02.08 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 522 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 11 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B39800000000000000000000000000001224000003C4000000000000000B1FE00001F00100800000C0CE19E1637FCF6C81640A803A6F36C028288293522A009D8A1FE6CD88F3EB2C4FDFB877D28ECC013DBF9A798FDF79E08000200000200001000040000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [5-[4-[(5-methyl-2-furyl)methylamino]quinazolin-6-yl]-2-furyl]methanol;2,2,2-trifluoroacetic acid IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [5-[4-[(5-methyl-2-furanyl)methylamino]-6-quinazolinyl]-2-furanyl]methanol;2,2,2-trifluoroacetic acid IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol;2,2,2-trifluoroacetic acid IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol;2,2,2-trifluoroacetic acid IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [5-[4-[(5-methylfuran-2-yl)methylamino]quinazolin-6-yl]furan-2-yl]methanol;2,2,2-tris(fluoranyl)ethanoic acid IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 [5-[4-[(5-methyl-2-furyl)methylamino]quinazolin-6-yl]-2-furyl]methanol;2,2,2-trifluoroacetic acid InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H17N3O3.C2HF3O2/c1-12-2-4-14(24-12)9-20-19-16-8-13(3-6-17(16)21-11-22-19)18-7-5-15(10-23)25-18;3-2(4,5)1(6)7/h2-8,11,23H,9-10H2,1H3,(H,20,21,22);(H,6,7) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 FVSFJMRNUIYTDP-UHFFFAOYSA-N Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 449.11985517 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C21H18F3N3O5 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 449.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=C(O1)CNC2=NC=NC3=C2C=C(C=C3)C4=CC=C(O4)CO.C(=O)(C(F)(F)F)O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=C(O1)CNC2=NC=NC3=C2C=C(C=C3)C4=CC=C(O4)CO.C(=O)(C(F)(F)F)O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 122 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 449.11985517 32 0 0 0 0 0 0 0 2 -1