69044551 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 8 8 7 7 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 4 5 5 6 6 6 7 8 9 9 10 10 11 11 12 12 13 14 15 15 16 16 17 17 17 18 18 19 19 21 14 20 5 7 11 20 34 35 8 9 7 8 10 14 22 12 23 15 16 13 24 13 17 25 20 18 26 19 27 28 29 30 21 31 21 32 33 2 2 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 2 1 1 1 1 1 1 1 2 1 1 1 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 6.8335 4.2086 4.5981 5.4978 4.5981 6.1279 5.5443 5.5443 3.732 7.1279 3.732 2.866 2.866 5.855 7.6279 7.6279 2 8.6279 8.6279 5.1871 9.1279 5.7369 3.732 3.732 2.3291 7.3179 7.3179 2.31 1.4631 1.69 8.9379 8.9379 9.7479 5.0837 6.1044 -0.5057 -0.8376 0.9558 -1.9943 1.9558 1.4558 0.651 2.2605 2.4558 1.4558 0.4558 1.9558 0.9558 -0.2995 0.5897 2.3218 2.4558 0.5897 2.3218 -1.0438 1.4558 2.8498 3.0758 -0.1642 0.6458 0.0528 2.8587 2.9927 2.7658 1.9188 0.0528 2.8587 1.4558 -2.4558 -2.1222 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 3 5 5 6 6 9 10 10 11 12 15 16 18 19 5 7 11 8 9 7 8 12 15 16 13 13 18 19 21 21 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 417 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B30000000000000000000000000000001600000003C400000000000005801F000001E00100000000C0CC19E043EC0B34C1800A803B577540082802037022008D821B864D80820FAC0D5B1842108608000C8C9071889C09E80000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(7-methyl-2-phenyl-indolizin-3-yl)-2-oxo-acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(7-methyl-2-phenyl-3-indolizinyl)-2-oxoacetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(7-methyl-2-phenylindolizin-3-yl)-2-oxoacetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(7-methyl-2-phenyl-indolizin-3-yl)-2-oxidanylidene-ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-keto-2-(7-methyl-2-phenyl-indolizin-3-yl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C17H14N2O2/c1-11-7-8-19-13(9-11)10-14(12-5-3-2-4-6-12)15(19)16(20)17(18)21/h2-10H,1H3,(H2,18,21) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 GPOQUJHPUXWYIT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 278.105527694 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C17H14N2O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 278.30 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC2=CC(=C(N2C=C1)C(=O)C(=O)N)C3=CC=CC=C3 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC2=CC(=C(N2C=C1)C(=O)C(=O)N)C3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 64.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 278.105527694 21 0 0 0 0 0 0 0 1 -1