56667509 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 11 12 12 13 13 13 15 15 15 16 16 17 17 17 18 19 20 20 21 21 22 23 23 24 24 24 25 25 26 26 27 27 28 28 29 30 30 30 31 10 14 18 8 14 35 11 16 18 10 13 42 19 22 9 10 32 12 33 34 14 36 37 20 21 15 38 39 17 40 41 19 23 24 43 44 22 25 26 45 27 46 30 28 47 48 49 50 29 51 31 52 31 53 29 54 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 1 1 1 2 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 2 1 1 1 2 1 1 1 1 1 1 8 4 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 4.666 5.5321 4.666 6.3981 7.2641 6.3981 4.666 8.1301 5.5321 5.5321 4.666 3.8 4.666 5.5321 3.8 8.1301 8.9962 5.5321 2.9061 3.8 2.9061 8.9962 9.8622 2 2 6.3981 9.8622 6.3981 7.6626 6.8656 4.9951 4.0555 4.454 5.7441 6.1426 4.454 4.0555 4.9951 4.8781 5.2766 7.5932 8.9962 2.9132 3.49 3.2631 4.11 2.9132 8.9962 10.3991 1.4643 1.4643 6.7081 6.935 6.0881 10.3991 -1.7673 1.7327 2.7327 0.2327 2.7327 -1.7673 4.7327 -0.2673 0.2327 -1.2673 1.7327 -0.2673 -2.7673 1.2327 -3.2673 3.2327 -4.2673 3.2327 4.2327 -1.2673 0.2327 4.2327 2.698 -4.7673 4.7673 -1.7673 -0.2673 3.2118 4.2535 4.7327 -1.2673 0.3527 0.7076 0.7076 -0.0773 1.8403 1.1501 -3.3499 -2.6597 -2.6847 -3.375 -1.4573 -4.8499 -4.1597 -1.5773 0.8527 2.078 -4.2304 -5.0773 -5.3043 5.3873 -2.3873 0.0427 2.8998 4.5656 4.1957 5.0427 5.2696 -1.5773 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 16 16 18 19 20 21 23 25 26 27 28 16 18 19 22 9 20 21 19 23 22 25 26 27 28 29 31 31 29 0 Compound Canonicalized 5 2012.02.08 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 672 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 9 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-butyl-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-butyl-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>-butyl-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-butyl-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-butyl-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-butyl-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/c1-3-4-14-25-23(30)20(15-18-10-6-5-7-11-18)27-22(29)16-28-21-13-9-8-12-19(21)26-17(2)24(28)31/h5-13,20H,3-4,14-16H2,1-2H3,(H,25,30)(H,27,29) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 LSXWIQFJOMCJEJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.8 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 CCCCNC(=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 CCCCNC(=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 90.9 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