24749598 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 8 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 2 3 3 3 4 4 4 5 5 6 6 6 7 8 9 9 10 10 12 12 13 14 14 16 16 17 17 18 18 19 19 20 11 15 7 15 23 11 14 26 8 15 7 8 9 10 11 12 21 13 22 13 24 25 16 17 18 27 19 28 20 29 20 30 31 2 2 1 1 1 1 1 1 2 1 1 1 2 2 1 1 1 1 1 2 1 1 2 1 1 1 2 1 2 1 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 3.8 6.3981 4.666 5.5321 5.5321 3.8 3.8 4.666 2.9061 2.9061 4.666 2 2 5.5321 5.5321 4.666 6.3981 4.666 6.3981 5.5321 2.9132 2.9132 4.666 1.4643 1.4643 6.069 4.1291 6.935 4.1291 6.935 5.5321 -0.56 2.94 2.94 -0.56 1.44 1.44 2.44 0.94 0.9053 2.9747 -0.06 1.4192 2.4608 -1.56 2.44 -2.06 -2.06 -3.06 -3.06 -3.56 0.2854 3.5946 3.56 1.1071 2.7729 -0.25 -1.75 -1.75 -3.37 -3.37 -4.18 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 5 5 6 6 6 7 9 10 12 14 14 16 17 18 19 7 15 8 15 7 8 9 10 12 13 13 16 17 18 19 20 20 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 427 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0733000000000000000000000000000000000000000306080000000000000814000001E00100000000C0881980031C082C00000A803257254008200002102000888012064988820B2C09591842008609402C8C8271C88808E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-oxo-N-phenyl-1H-quinazoline-4-carboxamide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-oxo-N-phenyl-1H-quinazoline-4-carboxamide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-oxo-<I>N</I>-phenyl-1<I>H</I>-quinazoline-4-carboxamide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-oxo-N-phenyl-1H-quinazoline-4-carboxamide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-oxidanylidene-N-phenyl-1H-quinazoline-4-carboxamide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 2-keto-N-phenyl-1H-quinazoline-4-carboxamide InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C15H11N3O2/c19-14(16-10-6-2-1-3-7-10)13-11-8-4-5-9-12(11)17-15(20)18-13/h1-9H,(H,16,19)(H,17,18,20) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 IBKXBRUBWALIOJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 2 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 265.085126602 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C15H11N3O2 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 265.27 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)NC(=O)C2=NC(=O)NC3=CC=CC=C32 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 C1=CC=C(C=C1)NC(=O)C2=NC(=O)NC3=CC=CC=C32 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 70.6 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 265.085126602 20 0 0 0 0 0 0 0 1 -1