6532827 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 38 39 40 8 8 8 7 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 1 1 2 3 4 4 5 5 5 6 6 7 7 8 8 8 9 9 10 10 11 11 11 12 13 15 15 16 16 17 18 18 20 21 21 22 22 23 23 24 25 25 26 4 40 13 19 14 19 6 14 32 17 34 12 14 9 10 15 13 17 16 18 12 19 21 23 20 22 27 20 28 29 24 30 31 25 33 24 36 26 35 37 26 38 39 1 1 2 2 1 1 1 1 1 1 1 1 2 1 1 2 1 2 1 2 1 1 2 2 1 1 1 2 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 9 8 13 17 29 6 2 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 38 39 40 6.3981 5.5321 4.666 5.5321 6.3981 6.3981 4.666 8.1301 7.2641 8.1301 3.8 3.8 6.3981 5.5321 9.0241 7.2641 7.2641 9.0241 4.666 6.3981 2.9061 9.9301 2.9061 9.9301 2 2 9.0169 7.2641 7.801 9.0169 5.8612 6.935 2.9132 5.8612 2.9132 10.4659 10.4659 1.4643 1.4643 6.3981 -2.7673 1.7327 -3.7673 -2.2673 -0.7673 0.2327 -0.7673 2.2327 1.7327 3.2327 -2.2673 -1.2673 2.2327 -1.2673 1.698 3.7327 0.7327 3.7673 -2.7673 3.2327 -2.802 2.2118 -0.7327 3.2535 -2.2882 -1.2465 1.078 4.3527 0.4227 4.3873 3.5427 -1.0773 -3.422 0.5427 -0.1127 1.8998 3.5656 -2.6002 -0.9344 -3.3873 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 7 7 8 8 10 11 11 11 12 15 18 21 22 23 25 14 19 12 14 10 15 18 12 19 21 23 22 24 25 24 26 26 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 684 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371C07BB000000000000000000000000000000000000000306081000000000000814000001E001C0800000C0CC1980431C082720000A802A55674008200012402022DA8810064C888203A80DD9184218860810208C9C71888808E80000000001200000000000000240000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-hydroxy-2-[2-[(Z)-(2-oxo-1-naphthylidene)methyl]hydrazino]quinazolin-4-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-hydroxy-2-[[(Z)-(2-oxo-1-naphthalenylidene)methyl]hydrazo]-4-quinazolinone IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-hydroxy-2-[2-[(<I>Z</I>)-(2-oxonaphthalen-1-ylidene)methyl]hydrazinyl]quinazolin-4-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-hydroxy-2-[2-[(Z)-(2-oxonaphthalen-1-ylidene)methyl]hydrazinyl]quinazolin-4-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-oxidanyl-2-[2-[(Z)-(2-oxidanylidenenaphthalen-1-ylidene)methyl]hydrazinyl]quinazolin-4-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 3-hydroxy-2-[N'-[(Z)-(2-keto-1-naphthylidene)methyl]hydrazino]quinazolin-4-one InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H14N4O3/c24-17-10-9-12-5-1-2-6-13(12)15(17)11-20-22-19-21-16-8-4-3-7-14(16)18(25)23(19)26/h1-11,20,26H,(H,21,22)/b15-11- InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 CMMYVYGVASVMBD-PTNGSMBKSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 2.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 346.10659032 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H14N4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 346.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C2C(=C1)C=CC(=O)C2=CNNC3=NC4=CC=CC=C4C(=O)N3O SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C\2C(=C1)C=CC(=O)/C2=C\NNC3=NC4=CC=CC=C4C(=O)N3O Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 94 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 346.10659032 26 0 0 0 1 1 0 0 1 -1