5307498 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 17 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 2 3 3 4 5 6 6 6 7 7 7 8 8 8 9 9 10 10 13 13 13 14 14 14 15 15 16 16 17 19 19 20 21 21 22 22 23 23 24 25 25 26 26 27 28 28 29 27 11 17 24 12 18 9 11 13 11 12 14 18 22 39 10 15 12 16 18 30 31 17 32 33 19 34 20 35 21 20 36 37 23 38 25 26 24 40 41 27 42 28 43 29 29 44 45 1 2 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 2 1 1 1 1 2 1 2 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 8.9962 6.3981 5.5891 4.666 6.3981 4.666 5.5321 5.5321 3.8 3.8 5.5321 4.666 4.666 6.3981 2.9061 2.9061 6.3981 5.5321 2 2 7.2071 6.3981 6.8981 5.8981 7.2641 6.3981 8.1301 7.2641 8.1301 4.0555 4.454 6.6101 7.0087 2.9132 2.9132 1.4643 1.4643 7.7968 4.9951 7.2625 5.5337 7.2641 5.8612 7.2641 8.6671 -2.5194 -0.0194 3.5684 2.9806 -1.0194 -0.0194 1.4806 -2.5194 0.4806 1.4806 0.4806 1.9806 -1.0194 1.9806 -0.0541 2.0152 2.9806 -1.5194 0.4598 1.5014 3.5684 -3.0194 4.5194 4.5194 -2.5194 -4.0194 -3.0194 -4.5194 -4.0194 -0.9118 -1.602 1.398 2.0882 -0.674 2.6352 0.1477 1.8135 3.3768 -2.8294 5.021 5.021 -1.8994 -4.3294 -5.1394 -4.3294 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 6 6 7 7 9 9 10 10 15 16 17 19 21 22 22 23 25 26 27 28 17 24 9 11 11 12 10 15 12 16 19 20 21 20 23 25 26 24 27 28 29 29 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 645 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 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 00000371E07B38000400000000000000000000000001200000003C6080000000000000B1D000001E02100000000C0EE1982631C483C004408802AD52D0008208002527000888018E6EC88E663AC5F7BB9739A8ECD733D8E9E79899028E00000000020200000000000004040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-chlorophenyl)-2-[3-(2-furylmethyl)-2,4-dioxo-quinazolin-1-yl]acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-chlorophenyl)-2-[3-(2-furanylmethyl)-2,4-dioxo-1-quinazolinyl]acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(3-chlorophenyl)-2-[3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-chlorophenyl)-2-[3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-chlorophenyl)-2-[3-(furan-2-ylmethyl)-2,4-bis(oxidanylidene)quinazolin-1-yl]ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-chlorophenyl)-2-[3-(2-furfuryl)-2,4-diketo-quinazolin-1-yl]acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C21H16ClN3O4/c22-14-5-3-6-15(11-14)23-19(26)13-24-18-9-2-1-8-17(18)20(27)25(21(24)28)12-16-7-4-10-29-16/h1-11H,12-13H2,(H,23,26) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 UQXFDVVRRYFPGI-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 409.0829337 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C21H16ClN3O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 409.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C(=O)N(C(=O)N2CC(=O)NC3=CC(=CC=C3)Cl)CC4=CC=CO4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C(=O)N(C(=O)N2CC(=O)NC3=CC(=CC=C3)Cl)CC4=CC=CO4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 82.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 409.0829337 29 0 0 0 0 0 0 0 1 -1