3610114 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 8 8 7 7 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 2 3 3 3 4 4 5 5 6 6 7 7 8 8 9 10 11 12 13 13 14 15 15 16 16 17 17 18 19 19 19 20 20 21 21 22 22 23 23 24 12 14 5 7 11 10 11 6 8 9 14 9 12 10 13 25 15 26 16 17 27 19 18 28 20 21 18 29 30 31 32 33 22 34 23 35 24 36 24 37 38 2 2 1 1 1 1 2 2 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 2 1 2 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 5.6034 5.6034 6.1924 7.9244 6.1924 5.2462 5.2462 7.0584 4.6626 7.9244 7.0584 4.9355 7.0424 4.9355 8.8344 3.957 7.9404 8.8425 3.957 3.6464 3.2892 2.6678 2.3107 2 4.0426 7.0584 6.5019 9.3678 7.938 9.3806 4.0849 3.3503 3.8292 4.0604 3.4818 2.4752 1.8966 1.3933 -2.2251 2.774 -0.2255 -0.2255 0.7745 1.0792 -0.5303 1.2745 0.2745 0.7745 -0.7255 -1.4808 2.316 2.0297 1.2813 -1.687 2.8437 2.3229 2.236 -2.6375 -0.9427 -2.8437 -1.1489 -2.0994 0.2745 -1.3455 2.6197 0.9651 3.4637 2.6308 2.8426 2.3638 1.6293 -3.099 -0.3534 -3.4331 -0.6874 -2.2273 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 3 4 4 5 5 6 7 8 8 10 13 15 16 16 17 20 21 22 23 5 7 11 10 11 6 8 9 9 10 13 15 17 18 20 21 18 22 23 24 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 500 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 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 00000371C07B30000000000000000000000000000001600000003C6080000000000058B1F400001E00000000000C0C819E0437D0F70C1800A803A47364008280293702A009D821B864D88828FAC0DDF1842588688002C8C9E71C8BC0BE00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(3-benzoylpyrrolo[1,2-c]quinazolin-1-yl)ethanone IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(3-benzoyl-1-pyrrolo[1,2-c]quinazolinyl)ethanone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(3-benzoylpyrrolo[1,2-c]quinazolin-1-yl)ethanone IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(3-benzoylpyrrolo[1,2-c]quinazolin-1-yl)ethanone IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-[3-(phenylcarbonyl)pyrrolo[1,2-c]quinazolin-1-yl]ethanone IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(3-benzoylpyrrolo[1,2-c]quinazolin-1-yl)ethanone InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C20H14N2O2/c1-13(23)16-11-18(20(24)14-7-3-2-4-8-14)22-12-21-17-10-6-5-9-15(17)19(16)22/h2-12H,1H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 XPDOKUVPSWWTDN-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 314.105527694 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C20H14N2O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 314.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)C1=C2C3=CC=CC=C3N=CN2C(=C1)C(=O)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC(=O)C1=C2C3=CC=CC=C3N=CN2C(=C1)C(=O)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 51.4 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 314.105527694 24 0 0 0 0 0 0 0 1 -1