56660897 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 57 58 59 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 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 1 1 2 3 4 4 4 5 5 5 6 6 6 7 7 8 8 8 9 9 9 11 11 12 12 12 13 13 13 14 14 14 16 16 17 17 18 18 19 20 21 21 21 22 22 22 23 24 24 25 25 26 26 27 27 28 29 29 30 31 31 31 10 15 19 10 13 14 8 15 35 12 16 19 20 23 9 10 32 11 33 34 17 18 15 36 37 21 38 39 22 40 41 20 24 25 42 26 43 23 27 44 45 46 47 48 49 31 29 50 28 51 28 52 30 53 54 30 55 56 57 58 59 2 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 1 8 5 9 10 32 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 57 58 59 7.2641 6.3981 6.3981 5.5321 5.5321 4.666 4.666 6.3981 7.2641 6.3981 8.1301 4.666 5.5321 4.666 5.5321 3.8 8.1301 8.9962 5.5321 3.8 4.666 3.8 5.5321 2.9061 8.9962 9.8622 2.9061 9.8622 2 2 6.3981 6.3981 7.6626 6.8656 4.9951 4.0555 4.454 5.7441 6.1426 5.0646 4.2675 7.5932 8.9962 4.356 4.1291 4.976 3.49 3.2631 4.11 2.9132 8.9962 10.3991 2.9132 10.3991 1.4643 1.4643 6.7081 6.935 6.0881 -2.5173 0.9827 1.9827 -2.5173 -0.5173 1.9827 3.9827 -1.0173 -0.5173 -2.0173 -1.0173 0.9827 -3.5173 -2.0173 0.4827 2.4827 -2.0173 -0.5173 2.4827 3.4827 -4.0173 -2.5173 3.4827 1.948 -2.5173 -1.0173 4.0173 -2.0173 2.4618 3.5035 3.9827 -0.3973 -0.0424 -0.0424 -0.8273 1.0903 0.4001 -4.0999 -3.4097 -1.5424 -1.5424 -2.3273 0.1027 -3.4804 -4.3273 -4.5543 -1.9804 -2.8273 -3.0543 1.328 -3.1373 -0.7073 4.6373 -2.3273 2.1498 3.8156 3.4457 4.2927 4.5196 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 8 11 11 16 16 17 18 19 20 24 25 26 27 29 16 19 20 23 9 17 18 20 24 25 26 23 27 29 28 28 30 30 0 Compound Canonicalized 5 2012.02.08 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 682 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 8 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,N-diethyl-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 N,N-diethyl-2-[[2-(3-methyl-2-oxo-1-quinoxalinyl)-1-oxoethyl]amino]-3-phenylpropanamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>,<I>N</I>-diethyl-2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]-3-phenylpropanamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N,N-diethyl-2-[[2-(3-methyl-2-oxoquinoxalin-1-yl)acetyl]amino]-3-phenylpropanamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N,N-diethyl-2-[2-(3-methyl-2-oxidanylidene-quinoxalin-1-yl)ethanoylamino]-3-phenyl-propanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N,N-diethyl-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/C24H28N4O3/c1-4-27(5-2)24(31)20(15-18-11-7-6-8-12-18)26-22(29)16-28-21-14-10-9-13-19(21)25-17(3)23(28)30/h6-14,20H,4-5,15-16H2,1-3H3,(H,26,29) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 URNYTFMHOBGYHV-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 420.21614077 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C24H28N4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 420.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCN(CC)C(=O)C(CC1=CC=CC=C1)NC(=O)CN2C3=CC=CC=C3N=C(C2=O)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCN(CC)C(=O)C(CC1=CC=CC=C1)NC(=O)CN2C3=CC=CC=C3N=C(C2=O)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 82.1 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 420.21614077 31 1 0 1 0 0 0 0 1 -1