647104 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 41 42 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 1 1 1 2 3 3 3 4 4 4 5 5 5 6 6 6 7 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 12 12 13 13 16 16 17 18 18 19 19 20 20 21 14 15 6 14 33 13 16 37 15 17 38 7 8 22 9 23 24 10 25 26 11 27 28 11 29 30 31 32 13 14 35 36 15 34 17 18 19 20 39 21 40 21 41 42 2 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 1 13 4 12 15 34 3 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 41 42 5.5321 6.3981 7.2641 4.666 4.666 7.2641 6.3981 8.1301 6.3981 8.1301 7.2641 6.3981 5.5321 6.3981 5.5321 3.8 3.8 2.9061 2.9061 2 2 7.801 6.186 5.7875 8.7407 8.3422 5.7875 6.186 8.3422 8.7407 6.8656 7.6626 7.801 5.5321 7.0087 6.6101 4.666 4.666 2.9132 2.9132 1.4643 1.4643 -0.56 2.94 -0.56 0.94 2.94 -1.56 -2.06 -2.06 -3.06 -3.06 -3.56 0.94 1.44 -0.06 2.44 1.44 2.44 0.9053 2.9747 1.4192 2.4608 -1.25 -1.4774 -2.1677 -2.1677 -1.4774 -2.9523 -3.6426 -3.6426 -2.9523 -4.035 -4.035 -0.25 0.82 0.8323 1.5226 0.32 3.56 0.2854 3.5946 1.1071 2.7729 3 8 8 8 8 8 8 13 16 16 17 18 19 20 12 17 18 19 20 21 21 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 393 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 3 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 00000371E07B30000000000000000000000000000000000000003C6080000000000000B10000001E00100000000828C1900430C082C0000088002552500082000021020008888188748808603AC0D1B1942008609600C8C8071500000000000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-cyclohexyl-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-cyclohexyl-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-cyclohexyl-2-(3-oxo-2,4-dihydro-1<I>H</I>-quinoxalin-2-yl)acetamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-cyclohexyl-2-(3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-cyclohexyl-2-(3-oxidanylidene-2,4-dihydro-1H-quinoxalin-2-yl)ethanamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-cyclohexyl-2-(3-keto-2,4-dihydro-1H-quinoxalin-2-yl)acetamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C16H21N3O2/c20-15(17-11-6-2-1-3-7-11)10-14-16(21)19-13-9-5-4-8-12(13)18-14/h4-5,8-9,11,14,18H,1-3,6-7,10H2,(H,17,20)(H,19,21) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YINQSHIVHBYKHZ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 287.16337692 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C16H21N3O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 287.36 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCC(CC1)NC(=O)CC2C(=O)NC3=CC=CC=C3N2 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1CCC(CC1)NC(=O)CC2C(=O)NC3=CC=CC=C3N2 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 70.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 287.16337692 21 1 0 1 0 0 0 0 1 14