56670988 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 43 44 45 46 47 48 49 50 51 52 53 54 55 56 8 8 8 7 7 7 7 6 6 6 6 6 6 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 1 1 1 1 1 1 1 1 1 1 1 1 2 3 4 4 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 11 11 11 12 12 13 13 13 15 15 16 17 18 18 18 19 19 19 20 20 21 21 22 23 23 24 24 25 25 26 26 27 27 28 29 29 29 30 10 14 16 8 14 34 11 15 16 10 13 38 17 22 9 10 31 12 32 33 14 35 36 20 21 18 19 37 17 23 22 24 39 40 41 42 43 44 25 45 26 46 29 27 47 28 48 30 49 30 50 28 51 52 53 54 55 56 2 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 8 4 9 10 31 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 43 44 45 46 47 48 49 50 51 52 53 54 55 56 7.2641 6.3981 6.3981 5.5321 4.666 5.5321 4.666 6.3981 7.2641 6.3981 4.666 8.1301 5.5321 5.5321 3.8 5.5321 3.8 4.666 6.3981 8.1301 8.9962 5.5321 2.9061 2.9061 8.9962 9.8622 2 2 6.3981 9.8622 6.3981 7.6626 6.8656 4.9951 4.0555 4.454 6.069 4.9951 4.356 4.1291 4.976 6.0881 6.935 6.7081 7.5932 8.9962 2.9132 2.9132 8.9962 10.3991 1.4643 1.4643 6.7081 6.935 6.0881 10.3991 -2.5173 0.9827 1.9827 -0.5173 1.9827 -2.5173 3.9827 -1.0173 -0.5173 -2.0173 0.9827 -1.0173 -3.5173 0.4827 2.4827 2.4827 3.4827 -4.0173 -4.0173 -2.0173 -0.5173 3.4827 1.948 4.0173 -2.5173 -1.0173 2.4618 3.5035 3.9827 -2.0173 -0.3973 -0.0424 -0.0424 -0.8273 1.0903 0.4001 -3.2073 -2.2073 -3.4804 -4.3273 -4.5543 -4.5543 -4.3273 -3.4804 -2.3273 0.1027 1.328 4.6373 -3.1373 -0.7073 2.1498 3.8156 3.4457 4.2927 4.5196 -2.3273 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 5 5 7 7 8 12 12 15 15 16 17 20 21 23 24 25 26 27 15 16 17 22 9 20 21 17 23 22 24 25 26 27 28 30 30 28 0 Compound Canonicalized 5 2012.02.08 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 669 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BB000000000000000000000000000000000000000306080000000000000814000001E00100000000C28C1980432C083C00000A80325725400820000210200088881987488086032C091B1942008609600C8C8071888808E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-isopropyl-2-[[2-(3-methyl-2-oxo-quinoxalin-1-yl)acetyl]amino]-3-phenyl-propanamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[[2-(3-methyl-2-oxo-1-quinoxalinyl)-1-oxoethyl]amino]-3-phenyl-N-propan-2-ylpropanamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]-3-phenyl-<I>N</I>-propan-2-ylpropanamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]-3-phenyl-N-propan-2-ylpropanamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[2-(3-methyl-2-oxidanylidene-quinoxalin-1-yl)ethanoylamino]-3-phenyl-N-propan-2-yl-propanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-isopropyl-2-[[2-(2-keto-3-methyl-quinoxalin-1-yl)acetyl]amino]-3-phenyl-propionamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C23H26N4O3/c1-15(2)24-22(29)19(13-17-9-5-4-6-10-17)26-21(28)14-27-20-12-8-7-11-18(20)25-16(3)23(27)30/h4-12,15,19H,13-14H2,1-3H3,(H,24,29)(H,26,28) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PVXRFKDGDHSVFG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.4 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 406.20049070 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C23H26N4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 406.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=NC2=CC=CC=C2N(C1=O)CC(=O)NC(CC3=CC=CC=C3)C(=O)NC(C)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=NC2=CC=CC=C2N(C1=O)CC(=O)NC(CC3=CC=CC=C3)C(=O)NC(C)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 90.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 406.20049070 30 1 0 1 0 0 0 0 1 -1