65916 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 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 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 5 5 5 6 6 7 7 8 8 8 9 11 11 12 12 14 14 15 15 15 16 16 16 17 17 18 19 19 19 20 20 20 11 20 10 13 6 9 11 13 15 28 7 12 10 14 9 10 13 21 22 23 17 24 18 25 16 26 27 19 29 30 18 31 32 33 34 35 36 37 38 1 1 2 2 1 1 1 1 1 1 1 2 1 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 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 5.5321 4.666 6.3981 4.666 7.2641 3.8 3.8 5.5321 5.5321 4.666 4.666 2.9061 6.3981 2.9061 8.1301 8.9962 2 2 9.8622 5.5321 6.069 4.0555 4.454 2.9132 2.9132 8.5287 7.7316 7.2641 8.5976 9.3947 1.4643 1.4643 10.1722 10.3991 9.5522 4.9121 5.5321 6.1521 -1.75 2.75 2.75 -0.25 1.25 0.25 1.25 1.25 0.25 1.75 -1.25 -0.2847 1.75 1.7847 1.75 1.25 0.2292 1.2708 1.75 -2.75 -0.06 -1.1423 -1.8326 -0.9046 2.4046 2.225 2.225 0.63 0.7751 0.7751 -0.0829 1.5829 1.2131 2.06 2.2869 -2.75 -3.37 -2.75 8 8 8 8 8 8 8 8 8 8 8 4 4 6 6 7 7 8 8 12 14 17 6 9 7 12 10 14 9 10 17 18 18 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 406 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E0733000000000000000000000000000000000000000304000000000000000810000001E00100000000C0CC1980632C083C004008802A55650008200002502000888810864C808203AC89591842188609600C8C9C71889809E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(methoxymethyl)-4-oxo-N-propyl-quinoline-3-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(methoxymethyl)-4-oxo-N-propyl-3-quinolinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(methoxymethyl)-4-oxo-<I>N</I>-propylquinoline-3-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(methoxymethyl)-4-oxo-N-propylquinoline-3-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 1-(methoxymethyl)-4-oxidanylidene-N-propyl-quinoline-3-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 4-keto-1-(methoxymethyl)-N-propyl-quinoline-3-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H18N2O3/c1-3-8-16-15(19)12-9-17(10-20-2)13-7-5-4-6-11(13)14(12)18/h4-7,9H,3,8,10H2,1-2H3,(H,16,19) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 RIPDGZHPNKQLDC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2.6 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 274.13174244 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H18N2O3 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 274.31 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCNC(=O)C1=CN(C2=CC=CC=C2C1=O)COC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCNC(=O)C1=CN(C2=CC=CC=C2C1=O)COC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 58.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 274.13174244 20 0 0 0 0 0 0 0 1 -1