899144 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 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 2 2 3 3 4 4 4 5 6 6 6 7 7 8 9 9 10 11 11 12 12 13 13 15 15 16 17 17 18 18 19 19 20 20 21 22 23 23 24 14 5 24 8 9 14 22 32 22 7 8 12 10 14 13 10 11 25 17 18 15 26 16 27 16 28 29 19 30 20 31 21 33 21 34 35 23 24 36 37 2 1 1 1 2 1 1 1 2 1 1 2 2 1 2 1 1 1 2 1 1 1 1 1 2 1 1 1 1 2 1 2 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 3.8 6.0321 4.666 5.5321 6.3411 3.8 4.666 3.8 5.5321 5.5321 6.3981 2.9061 2.9061 4.666 2 2 6.3981 7.2641 7.2641 8.1301 8.1301 5.5321 4.723 5.0321 6.069 2.9132 2.9132 1.4643 1.4643 5.8612 7.2641 6.069 7.2641 8.6671 8.6671 4.1334 4.6676 1.2306 3.7694 -2.2694 1.2306 2.8184 -0.7694 -0.2694 -1.7694 -1.7694 -0.7694 -2.2694 -0.2348 -2.3041 0.7306 -0.7486 -1.7902 -3.2694 -1.7694 -3.7694 -2.2694 -3.2694 2.2306 2.8184 3.7694 -0.4594 0.3852 -2.924 -0.4365 -2.1023 -3.5794 -1.1494 0.9206 -4.3894 -1.9594 -3.5794 2.6268 4.271 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 3 3 5 6 6 6 7 8 9 11 11 12 13 15 17 18 19 20 22 23 5 24 8 9 22 7 8 12 10 13 10 17 18 15 16 16 19 20 21 21 23 24 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 438 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C07B30000000000000000000000000000001600000003C6080000000000000B1FC00001E00140000000C08A19E0231F4F2D81000A9032F72F600828020252220299821366CDA8824FAC09D9184218862950AC8C9C71C88C08E80000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-isoxazol-3-yl-2-phenyl-quinoline-4-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(3-isoxazolyl)-2-phenyl-4-quinolinecarboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-(1,2-oxazol-3-yl)-2-phenylquinoline-4-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(1,2-oxazol-3-yl)-2-phenylquinoline-4-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-(1,2-oxazol-3-yl)-2-phenyl-quinoline-4-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-isoxazol-3-yl-2-phenyl-cinchoninamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H13N3O2/c23-19(21-18-10-11-24-22-18)15-12-17(13-6-2-1-3-7-13)20-16-9-5-4-8-14(15)16/h1-12H,(H,21,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 CDDDIKSIXQVQAT-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 3.5 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 315.100776666 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H13N3O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 315.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NOC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=NOC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 68 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 315.100776666 24 0 0 0 0 0 0 0 1 -1