53556368 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 17 8 7 7 7 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 3 3 3 4 4 5 5 5 6 6 7 8 8 9 9 10 10 11 11 13 13 14 15 16 16 17 17 17 18 18 19 20 19 12 6 12 21 7 8 14 31 32 7 10 13 9 12 14 16 11 22 15 17 15 23 18 24 19 25 26 27 28 20 29 20 30 1 2 1 1 1 1 2 1 1 1 2 1 1 1 1 2 1 2 1 1 1 2 1 1 1 2 1 1 1 1 2 1 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 9.8602 7.2622 5.5301 5.5301 6.3961 4.6641 4.6641 6.3961 7.2622 3.7702 2.8641 6.3961 3.7702 7.2622 2.8641 8.1282 2 8.1282 8.9942 8.9942 5.5301 3.7773 3.7773 2.3284 8.1282 1.6879 1.4643 2.3121 8.1282 9.5312 6.3961 5.8592 -0.25 -1.75 -1.75 0.25 1.75 -1.25 -0.25 -0.25 0.25 -1.7847 -1.2708 -1.25 0.2847 1.25 -0.2292 -0.25 -1.7742 1.75 0.25 1.25 -2.37 -2.4046 0.9046 0.0829 -0.87 -1.2384 -2.0862 -2.3099 2.37 1.56 2.37 1.44 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 6 6 7 8 9 9 10 11 13 14 16 18 19 6 12 7 8 7 10 13 12 14 16 11 15 15 18 19 20 20 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 425 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 1 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0732000040000000000000000000000000000000000306080000000000000814000001E02100000000C0A81982032C082C00000A803257254008200002107000888012076980860B2C19791942008609400C8C8071C88808E0800406000020020100080C000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-amino-5-chloro-phenyl)-7-methyl-1H-quinoxalin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-amino-5-chlorophenyl)-7-methyl-1H-quinoxalin-2-one IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-amino-5-chlorophenyl)-7-methyl-1<I>H</I>-quinoxalin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-amino-5-chlorophenyl)-7-methyl-1H-quinoxalin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-azanyl-5-chloranyl-phenyl)-7-methyl-1H-quinoxalin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-amino-5-chloro-phenyl)-7-methyl-1H-quinoxalin-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H12ClN3O/c1-8-2-5-12-13(6-8)19-15(20)14(18-12)10-7-9(16)3-4-11(10)17/h2-7H,17H2,1H3,(H,19,20) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 AYVHBGQSRRAPGW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 285.0668897 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H12ClN3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 285.73 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC2=C(C=C1)N=C(C(=O)N2)C3=C(C=CC(=C3)Cl)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC2=C(C=C1)N=C(C(=O)N2)C3=C(C=CC(=C3)Cl)N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 67.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 285.0668897 20 0 0 0 0 0 0 0 1 -1