3163413 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 17 16 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 2 2 3 4 5 5 5 6 6 7 7 7 8 8 8 9 10 11 11 12 14 14 15 15 16 16 17 17 18 19 20 20 21 22 23 24 24 25 25 26 18 23 26 13 22 11 13 27 9 12 10 22 30 9 10 14 13 15 12 16 17 18 28 19 29 20 31 21 32 19 33 21 34 35 23 24 25 36 26 37 38 1 1 1 2 2 1 1 1 2 1 1 1 1 1 2 1 1 1 1 2 2 2 1 2 1 1 1 1 1 1 1 2 1 1 1 2 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 8.9962 3.7525 6.3981 6.3981 4.666 4.666 5.5321 6.3981 5.5321 6.3981 3.8 3.8 5.5321 7.2641 7.2641 2.9061 2.9061 8.1301 8.1301 2 2 5.5321 4.666 4.5615 3.5834 3.0834 4.666 7.2641 7.2641 4.9951 2.9132 2.9132 8.6671 1.4643 1.4643 5.0223 3.3312 2.4668 -1.2912 1.802 -2.7912 2.2088 -2.7912 -0.7912 0.7088 -0.7912 -1.2912 0.2088 -2.2912 -1.2912 -2.2912 -1.2912 0.7088 -2.8259 -0.7566 -0.7912 0.2088 -2.312 -1.2704 1.7088 2.2088 3.2033 3.4112 2.5452 -3.4112 -1.9112 1.3288 0.3988 -3.4458 -0.1366 0.5188 -2.6241 -0.9583 3.6182 3.9776 2.4804 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 5 5 6 6 8 8 9 10 11 11 12 14 15 16 17 18 20 23 24 25 23 26 11 13 9 12 10 14 13 15 12 16 17 18 19 20 21 19 21 24 25 26 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 599 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07B300044000000000000000000000000012000000030608000000000000081D000001E06100000000C0A85D820B0C182C00008AC0325725400830080250F104888192076D80860B2E19791942108609400E8C9871C88808E00004020000200200000804000040040000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]-2-thiophenecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-[4-chloro-2-(3-oxo-4<I>H</I>-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-chloro-2-(3-oxo-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-chloranyl-2-(3-oxidanylidene-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-[4-chloro-2-(3-keto-4H-quinoxalin-2-yl)phenyl]thiophene-2-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H12ClN3O2S/c20-11-7-8-13(22-18(24)16-6-3-9-26-16)12(10-11)17-19(25)23-15-5-2-1-4-14(15)21-17/h1-10H,(H,22,24)(H,23,25) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 QSWYNUPJWYWAER-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.8 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 381.0338755 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H12ClN3O2S Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 381.8 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)NC(=O)C(=N2)C3=C(C=CC(=C3)Cl)NC(=O)C4=CC=CS4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)NC(=O)C(=N2)C3=C(C=CC(=C3)Cl)NC(=O)C4=CC=CS4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 98.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 381.0338755 26 0 0 0 0 0 0 0 1 -1