739718 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 6 6 7 9 9 10 10 11 11 11 12 13 13 14 14 15 15 16 17 17 18 18 19 8 5 8 11 6 7 12 31 32 7 10 8 9 13 12 14 15 20 21 22 23 17 16 24 18 25 16 26 27 19 28 19 29 30 2 1 1 1 2 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 2 1 1 1 1 2 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 6.3981 4.666 4.666 5.5321 3.8 5.5321 3.8 5.5321 6.3981 2.9061 4.666 6.3981 2.9061 7.2641 2 2 7.2641 8.1301 8.1301 2.9132 4.046 4.666 5.286 2.9132 7.2641 1.4643 1.4643 7.2641 8.6671 8.6671 5.5321 4.9951 -1.56 -1.56 0.44 1.94 -1.06 -0.06 -0.06 -1.06 0.44 -1.5947 -2.56 1.44 0.4747 -0.06 -1.0808 -0.0392 1.94 0.44 1.44 -2.2146 -2.56 -3.18 -2.56 1.0946 -0.68 -1.3929 0.2729 2.56 0.13 1.75 2.56 1.63 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 5 5 6 7 9 9 10 12 13 14 15 17 18 5 8 6 7 7 10 8 13 12 14 15 17 16 18 16 19 19 0 Compound Canonicalized 5 2015.09.10 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 393 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 1 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 00000371C0732000000000000000000000000000000000000000306080000000000000814000001E00100000000C0881980432C083400000A803257254008200002102000888012874980860B2C09591942008609600C8C8071C88808E00000000000200200000000000040040000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-aminophenyl)-1-methyl-quinoxalin-2-one IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-aminophenyl)-1-methyl-2-quinoxalinone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-aminophenyl)-1-methylquinoxalin-2-one IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-aminophenyl)-1-methylquinoxalin-2-one IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-aminophenyl)-1-methyl-quinoxalin-2-one IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 3-(2-aminophenyl)-1-methyl-quinoxalin-2-one InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H13N3O/c1-18-13-9-5-4-8-12(13)17-14(15(18)19)10-6-2-3-7-11(10)16/h2-9H,16H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 FLJYDNPGZUQOLY-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.9 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 CN1C2=CC=CC=C2N=C(C1=O)C3=CC=CC=C3N SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN1C2=CC=CC=C2N=C(C1=O)C3=CC=CC=C3N Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 58.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 251.105862047 19 0 0 0 0 0 0 0 1 -1