3235299 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 50 8 7 7 7 7 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 1 1 1 1 2 2 2 3 3 3 4 4 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 11 11 12 13 13 14 15 16 16 17 17 18 18 19 19 20 20 21 22 22 23 23 24 24 24 25 25 26 9 10 6 7 8 11 12 39 12 15 14 15 9 27 28 10 29 30 11 31 32 33 34 35 36 37 38 13 14 17 18 16 19 22 20 40 21 41 23 24 21 42 43 25 44 26 45 46 47 48 26 49 50 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 2 1 1 1 1 2 1 2 1 1 1 1 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 38 39 40 41 42 43 44 45 46 47 48 49 50 8.1301 6.3981 4.666 5.5321 4.666 7.2641 6.3981 5.5321 8.1301 7.2641 5.5321 4.666 3.8 3.8 5.5321 6.3981 2.9061 2.9061 7.2641 2 2 6.3981 8.1301 7.2641 7.2641 8.1301 7.6626 6.8656 5.7875 6.186 4.9215 5.32 8.7407 8.3422 6.8656 7.6626 6.1426 5.7441 4.1291 2.9132 2.9132 1.4643 1.4643 5.8612 8.6671 6.6441 7.2641 7.8841 7.2641 8.6671 -3.5 -2.5 -0.5 1 2.5 -2 -3.5 -2 -2.5 -4 -1 0.5 1 2 2 2.5 0.4653 2.5347 2 0.9792 2.0208 3.5 2.5 1 4 3.5 -1.525 -1.525 -3.3923 -4.0826 -1.8923 -2.5826 -2.6077 -1.9174 -4.475 -4.475 -1.1077 -0.4174 -0.81 -0.1546 3.1546 0.6671 2.3329 3.81 2.19 1 0.38 1 4.62 3.81 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 12 13 13 14 16 16 17 18 19 20 22 23 25 12 15 14 15 13 14 17 18 19 22 20 21 23 21 25 26 26 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 428 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 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BA0000000000000000000000000000000000000003C7881000000000000B1F400001E00100000000C08E19F0633F0F7C81400A003266264008280292102A00998A03864988A68A2C0D9D1972408689002D8C8271080800E80000000001200000000000000240000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(2-morpholinoethyl)-2-(o-tolyl)quinazolin-4-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-methylphenyl)-N-[2-(4-morpholinyl)ethyl]-4-quinazolinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-methylphenyl)-<I>N</I>-(2-morpholin-4-ylethyl)quinazolin-4-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-(2-methylphenyl)-N-(2-morpholin-4-ylethyl)quinazolin-4-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 2-morpholinoethyl-[2-(o-tolyl)quinazolin-4-yl]amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C21H24N4O/c1-16-6-2-3-7-17(16)21-23-19-9-5-4-8-18(19)20(24-21)22-10-11-25-12-14-26-15-13-25/h2-9H,10-15H2,1H3,(H,22,23,24) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 LLPIDJXFHUUTPC-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 348.19501140 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C21H24N4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 348.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=N2)NCCN4CCOCC4 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=CC=CC=C1C2=NC3=CC=CC=C3C(=N2)NCCN4CCOCC4 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 50.3 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 348.19501140 26 0 0 0 0 0 0 0 1 -1