23731530 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 8 8 7 7 7 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 2 3 3 3 4 4 4 5 5 6 6 6 6 7 7 7 8 8 8 9 9 9 10 11 13 13 14 15 15 17 17 18 18 18 19 19 20 21 21 22 22 23 23 24 12 16 10 12 31 13 16 37 11 14 7 8 25 26 12 27 28 18 29 30 10 11 15 17 16 14 21 22 19 32 20 33 34 35 36 20 38 39 23 40 24 41 24 42 43 2 2 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 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 39 40 41 42 43 6.3981 6.3981 5.5321 4.666 4.666 4.666 4.666 3.8 6.3981 6.3981 5.5321 5.5321 3.8 3.8 7.2641 5.5321 7.2641 3.8 8.1301 8.1301 2.9061 2.9061 2 2 5.2766 4.8781 4.0555 4.454 3.1894 3.588 4.9951 7.2641 7.2641 4.42 3.8 3.18 4.666 8.6671 8.6671 2.9132 2.9132 1.4643 1.4643 1.56 -3.44 0.06 -3.44 -1.44 2.56 1.56 3.06 -1.44 -0.44 -1.94 1.06 -2.94 -1.94 -1.94 -2.94 0.06 4.06 -1.44 -0.44 -3.4747 -1.4053 -2.9608 -1.9192 2.4523 3.1426 1.6677 0.9774 3.1677 2.4774 -0.25 -2.56 0.68 4.06 4.68 4.06 -4.06 -1.75 -0.13 -4.0946 -0.7854 -3.2729 -1.6071 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 9 9 10 11 13 13 14 15 17 19 21 22 23 13 16 11 14 10 15 17 16 14 21 22 19 20 20 23 24 24 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 503 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07B3000000000000000000000000000000000000000306080000000000000814000001E00100000000C0881980032C082C00000A803257254008200002102000888012074980860B2C09591942008609400C8C8071C88808E00000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]pentanamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]pentanamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>-[2-(3-oxo-4<I>H</I>-quinoxalin-2-yl)phenyl]pentanamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3-oxo-4H-quinoxalin-2-yl)phenyl]pentanamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]pentanamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[2-(3-keto-4H-quinoxalin-2-yl)phenyl]valeramide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H19N3O2/c1-2-3-12-17(23)20-14-9-5-4-8-13(14)18-19(24)22-16-11-7-6-10-15(16)21-18/h4-11H,2-3,12H2,1H3,(H,20,23)(H,22,24) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 CDNKUHJFBVIQKT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 321.147726857 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H19N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 321.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCC(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3NC2=O SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCCC(=O)NC1=CC=CC=C1C2=NC3=CC=CC=C3NC2=O Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 70.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 321.147726857 24 0 0 0 0 0 0 0 1 -1