53635102 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 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 1 2 2 2 3 3 4 4 4 5 5 5 6 7 7 8 9 9 11 11 12 12 13 13 14 14 15 15 16 17 17 18 18 19 10 5 7 21 6 8 10 30 31 6 10 20 9 8 11 12 13 14 15 22 16 23 17 24 18 25 16 26 27 19 28 19 29 32 2 1 1 1 2 1 1 1 1 1 1 1 1 1 2 2 2 1 1 1 1 1 1 1 2 1 2 1 1 2 1 1 1 1 5 2 6 10 20 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 7.2641 4.666 4.666 6.3981 5.5321 5.5321 3.8 3.8 6.3981 6.3981 2.9061 2.9061 7.2641 6.3981 2 2 8.1301 7.2641 8.1301 5.5321 4.666 2.9132 2.9132 7.2641 5.8612 1.4643 1.4643 8.6671 7.2641 6.935 5.8612 8.6671 -0.595 -1.095 0.905 -2.095 -0.595 0.405 -0.595 0.405 0.905 -1.095 -1.1297 0.9397 0.405 1.905 -0.6158 0.4258 0.905 2.405 1.905 -1.215 -1.715 -1.7496 1.5596 -0.215 2.215 -0.9279 0.7379 0.595 3.025 -2.405 -2.405 2.215 3 8 8 8 8 8 8 8 8 8 8 8 8 5 7 7 8 9 9 11 12 13 14 15 17 18 10 8 11 12 13 14 15 16 17 18 16 19 19 0 Compound Canonicalized 5 2011.09.13 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 374 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 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371C0732000000000000000000000000000000000000000306080000000000000814000001E00100000000C28C1980430C082C00000A80325725400820000210200088881B874980860B2C091B1942008609000C8C8071888808E00000000000000200000000000000040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-phenyl-1,2-dihydroquinoxaline-2-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-phenyl-1,2-dihydroquinoxaline-2-carboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-phenyl-1,2-dihydroquinoxaline-2-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-phenyl-1,2-dihydroquinoxaline-2-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-phenyl-1,2-dihydroquinoxaline-2-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-phenyl-1,2-dihydroquinoxaline-2-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H13N3O/c16-15(19)14-13(10-6-2-1-3-7-10)17-11-8-4-5-9-12(11)18-14/h1-9,14,18H,(H2,16,19) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 ACDJHKMPVTYGBW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 251.105862047 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H13N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 251.28 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)C2=NC3=CC=CC=C3NC2C(=O)N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 C1=CC=C(C=C1)C2=NC3=CC=CC=C3NC2C(=O)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 2021.05.07 251.105862047 19 1 0 1 0 0 0 0 1 -1