9594929 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 8 7 7 7 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 2 2 3 3 3 4 5 5 5 6 7 8 8 9 10 10 11 11 12 12 13 14 14 14 15 15 15 16 17 17 18 18 19 19 20 21 22 22 22 19 22 7 9 4 6 26 16 6 7 10 8 11 9 23 14 12 24 13 25 13 27 28 29 30 31 16 17 18 32 20 33 21 34 20 21 35 36 37 38 39 1 1 1 2 1 1 1 2 1 1 2 2 2 1 1 1 1 1 1 1 2 1 1 1 1 1 1 2 1 1 1 1 2 1 2 1 1 1 1 1 1 4 -1 3 16 15 32 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 8.9962 4.666 4.666 5.5321 3.8 4.666 3.8 5.5321 5.5321 2.9061 2.9061 2 2 6.3981 6.3981 5.5321 7.2641 6.3981 8.1301 8.1301 7.2641 8.9962 6.069 2.9132 2.9132 4.1291 1.4643 1.4643 6.0881 6.935 6.7081 4.9951 7.2641 5.8612 8.6671 7.2641 9.6162 8.9962 8.3762 2.7673 -3.7327 -0.7327 -0.2327 -2.2327 -1.7327 -3.2327 -2.2327 -3.2327 -1.698 -3.7673 -2.2118 -3.2535 -3.7327 1.2673 0.7673 0.7673 2.2673 2.2673 1.2673 2.7673 3.7673 -1.9227 -1.078 -4.3873 -0.4227 -1.8998 -3.5656 -4.2696 -4.0427 -3.1957 1.0773 0.1473 2.5773 0.9573 3.3873 3.7673 4.3873 3.7673 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 2 2 5 5 5 6 7 8 10 11 12 15 15 17 18 19 19 7 9 6 7 10 8 11 9 12 13 13 17 18 20 21 20 21 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 365 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07B20000000000000000000000000000000000000003C6080000000000000B1F400001E00180000000C0CC19E0632C6F26A1400A00334634400928C20212220189820366C980C26E2C4F1DB84342864D811C8E80790C0800E20000000000200004000000000040000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(E)-(4-methoxyphenyl)methyleneamino]-2-methyl-quinolin-4-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methyl-4-quinolinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[(<I>E</I>)-(4-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methylquinolin-4-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[(E)-(4-methoxyphenyl)methylideneamino]-2-methyl-quinolin-4-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 (2-methyl-4-quinolyl)-[(E)-p-anisylideneamino]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C18H17N3O/c1-13-11-18(16-5-3-4-6-17(16)20-13)21-19-12-14-7-9-15(22-2)10-8-14/h3-12H,1-2H3,(H,20,21)/b19-12+ InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 NZBRHKYJUWKMKG-XDHOZWIPSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2021.10.14 4.4 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 291.137162174 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C18H17N3O Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 291.3 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=NC2=CC=CC=C2C(=C1)NN=CC3=CC=C(C=C3)OC SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CC1=NC2=CC=CC=C2C(=C1)N/N=C/C3=CC=C(C=C3)OC Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 46.5 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 291.137162174 22 0 0 0 1 1 0 0 1 -1