337346 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 8 8 8 8 7 7 7 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 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 14 14 15 15 15 16 16 17 20 20 21 21 22 22 23 11 12 13 18 19 8 9 10 13 14 34 17 39 40 11 24 25 12 26 27 13 28 29 30 31 32 33 17 18 16 18 20 19 21 19 22 35 23 36 23 37 38 1 1 2 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 2 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 28 29 30 31 32 33 34 35 36 37 38 39 40 2.866 4.5981 5.4641 5.4641 2.866 3.732 3.732 3.732 2 2.866 3.732 2 3.732 4.5981 6.3301 6.3301 4.5981 5.4641 5.4641 7.2241 7.2241 8.1301 8.1301 4.3426 3.9441 1.788 1.3894 2.654 2.2554 3.9441 4.3426 1.3894 1.788 3.1951 7.2169 7.2169 8.6659 8.6659 3.732 3.1951 -3.75 -0.75 -0.25 3.75 -1.75 0.75 2.75 -2.25 -2.25 -0.75 -3.25 -3.25 -0.25 1.25 1.25 2.25 2.25 0.75 2.75 0.7153 2.7847 1.2292 2.2708 -2.3577 -1.6674 -1.6674 -2.3577 -0.1674 -0.8577 -3.8326 -3.1423 -3.1423 -3.8326 1.06 0.0954 3.4046 0.9171 2.5829 3.37 2.44 8 8 8 8 8 8 15 15 16 20 21 22 16 20 21 22 23 23 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 552 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 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 00000371E07B38000000000000000000000000000000000000003C4080000000000000810000001E00100000000C0CE19806300083C004008802A55250000200002400000888018800C80A60328095319721002094009889C71989808E80000000001000000000000000200000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-amino-1,4-dioxo-2-naphthyl)-2-morpholino-acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-amino-1,4-dioxo-2-naphthalenyl)-2-(4-morpholinyl)acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(3-amino-1,4-dioxonaphthalen-2-yl)-2-morpholin-4-ylacetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-amino-1,4-dioxonaphthalen-2-yl)-2-morpholin-4-ylacetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[3-azanyl-1,4-bis(oxidanylidene)naphthalen-2-yl]-2-morpholin-4-yl-ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3-amino-1,4-diketo-2-naphthyl)-2-morpholino-acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C16H17N3O4/c17-13-14(18-12(20)9-19-5-7-23-8-6-19)16(22)11-4-2-1-3-10(11)15(13)21/h1-4H,5-9,17H2,(H,18,20) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 SSCBNQODSFXCLF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 0.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 315.12190603 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C16H17N3O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 315.32 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1COCCN1CC(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1COCCN1CC(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 102 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 315.12190603 23 0 0 0 0 0 0 0 1 -1