478574 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 9 8 8 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 2 3 4 4 4 5 5 6 6 7 8 8 10 11 11 12 13 13 14 14 15 15 16 16 18 18 19 19 20 17 9 10 6 7 10 7 12 8 13 9 9 14 11 12 15 18 16 21 17 22 19 23 17 24 20 25 20 26 27 1 2 2 1 1 1 2 1 2 1 1 1 1 1 1 2 2 2 1 2 1 1 1 1 1 1 1 2 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 2 5.4878 6.3463 5.9862 7.2734 4.9922 6.2952 4.6858 5.4895 6.6554 7.6335 7.9425 4.3106 3.6766 8.3185 3.2963 2.9772 8.9579 9.339 9.6609 4.5084 3.4923 8.1201 2.8828 9.1427 9.7521 10.2668 0.2095 2.1137 -2.1137 -0.4195 0.7394 -0.417 0.5315 0.5287 1.1137 -1.1627 -0.9548 -0.0037 -1.1965 0.7605 -1.7395 -0.9881 -0.003 0.2285 -1.5308 -0.5401 -1.784 1.3525 -2.3269 -1.4501 0.8204 -1.9931 -0.4089 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 6 8 10 11 11 12 13 14 15 16 18 19 7 10 7 12 8 13 14 11 12 15 18 16 17 19 17 20 20 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 504 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 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 0000037180733100000000000000000000000000000160000000306080000000000058814000001F00000000000C0C81980831C083000000A802A7727400820001250200098801A064C808203AC0DDB1842188608400C8C9C71888808E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 8-fluoroindolo[2,1-b]quinazoline-6,12-dione IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 8-fluoroindolo[2,1-b]quinazoline-6,12-dione IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 8-fluoroindolo[2,1-b]quinazoline-6,12-dione IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 8-fluoroindolo[2,1-b]quinazoline-6,12-dione IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 8-fluoranylindolo[2,1-b]quinazoline-6,12-dione IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 8-fluoroindolo[2,1-b]quinazoline-6,12-quinone InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C15H7FN2O2/c16-8-5-6-12-10(7-8)13(19)14-17-11-4-2-1-3-9(11)15(20)18(12)14/h1-7H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 UXBGZQXHNVNPFT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 266.04915563 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C15H7FN2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 266.23 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C(=O)N3C4=C(C=C(C=C4)F)C(=O)C3=N2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C(=O)N3C4=C(C=C(C=C4)F)C(=O)C3=N2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 49.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 266.04915563 20 0 0 0 0 0 0 0 1 -1