69762119 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 41 42 43 44 45 46 47 48 49 8 7 7 7 6 6 6 6 6 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 1 1 1 1 1 1 2 2 2 3 3 4 4 5 5 5 6 6 6 7 7 8 8 9 9 9 10 11 12 13 14 14 15 15 16 16 17 17 18 18 19 19 20 20 21 21 22 23 23 24 24 25 26 26 27 27 28 11 3 7 11 5 33 12 13 6 29 30 8 31 32 10 13 15 16 10 12 17 34 14 18 35 23 24 20 36 21 37 19 38 22 39 22 40 25 41 25 42 43 26 44 27 45 46 28 47 28 48 49 2 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 2 1 1 2 1 2 1 1 1 2 1 1 1 1 1 2 1 2 1 1 1 1 1 1 2 1 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 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 7.2641 6.3981 6.3981 4.666 5.5321 5.5321 5.5321 4.666 3.8 4.666 7.2641 3.8 5.5321 8.1301 3.8 4.666 2.9061 2.9061 2 2.934 3.8 2 8.1301 8.9962 2.934 8.9962 9.8622 9.8622 4.9215 5.32 6.1426 5.7441 6.935 4.666 6.069 3.8 5.203 2.9132 2.9132 1.4643 2.397 3.8 1.4643 7.5932 8.9962 2.397 8.9962 10.3991 10.3991 -2.7327 -1.2327 -0.2327 -3.2327 0.2673 1.2673 -1.7327 1.7673 -1.7327 -1.2327 -1.7327 -2.7327 -2.7327 -1.2327 1.2673 2.7673 -1.198 -3.2673 -1.7118 1.7673 3.2673 -2.7535 -0.2327 -1.7327 2.7673 0.2673 -1.2327 -0.2327 0.375 -0.3153 1.1597 1.8499 0.0773 -0.6127 -3.0427 0.6473 3.0773 -0.578 -3.8873 -1.3998 1.4573 3.8873 -3.0656 0.0773 -2.3527 3.0773 0.8873 -1.5427 0.0773 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 7 7 8 8 9 9 9 12 14 14 15 16 17 18 19 20 21 23 24 26 27 12 13 10 13 15 16 10 12 17 18 23 24 20 21 19 22 22 25 25 26 27 28 28 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 484 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B20000000000000000000000000000000000000003C60C1000000000000B1F400001E00180000000C08C19E043CC0F26A1000A803357754008284203512201AF8A13874D80860F2C09591942108609400C8C9871888808E00000000000200000000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N'-(2-phenylethyl)-N-(3-quinolyl)benzohydrazide IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N'-(2-phenylethyl)-N-(3-quinolinyl)benzohydrazide IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>&apos;-(2-phenylethyl)-<I>N</I>-quinolin-3-ylbenzohydrazide IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N'-(2-phenylethyl)-N-quinolin-3-ylbenzohydrazide IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N'-(2-phenylethyl)-N-quinolin-3-yl-benzohydrazide IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N'-phenethyl-N-(3-quinolyl)benzohydrazide InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C24H21N3O/c28-24(20-11-5-2-6-12-20)27(26-16-15-19-9-3-1-4-10-19)22-17-21-13-7-8-14-23(21)25-18-22/h1-14,17-18,26H,15-16H2 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 QBYUEYDZOVFDNE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.168462302 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C24H21N3O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)CCNN(C2=CC3=CC=CC=C3N=C2)C(=O)C4=CC=CC=C4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 C1=CC=C(C=C1)CCNN(C2=CC3=CC=CC=C3N=C2)C(=O)C4=CC=CC=C4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 45.2 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 367.168462302 28 0 0 0 0 0 0 0 1 -1