2229090 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 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 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 4 4 5 5 5 6 6 6 7 7 7 8 8 9 9 10 11 11 12 14 14 15 15 16 16 17 17 18 19 19 19 20 21 21 22 22 23 24 24 24 25 25 25 8 9 6 7 10 10 13 12 13 13 16 36 8 26 27 9 28 29 30 31 32 33 11 12 14 15 17 34 18 35 20 22 18 37 38 20 21 24 39 23 25 23 40 41 42 43 44 45 46 47 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 2 1 2 1 1 1 2 1 1 1 1 2 1 1 1 1 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 4.666 4.666 5.5321 4.666 6.3981 5.5321 3.8 5.5321 3.8 4.666 3.8 3.8 5.5321 2.9061 2.9061 6.3981 2 2 7.2641 7.2641 6.3981 5.5321 5.5321 8.1301 6.3981 6.1426 5.7441 3.588 3.1894 5.7441 6.1426 3.1894 3.588 2.9132 2.9132 6.935 1.4643 1.4643 7.801 4.9951 4.9951 8.4401 8.6671 7.8201 7.0181 6.3981 5.7781 -4.5 -2.5 -1 0.5 0.5 -3 -3 -4 -4 -1.5 -1 -0 0 -1.5347 0.5347 1.5 -1.0208 0.0208 3 2 3.5 2 3 3.5 4.5 -3.1077 -2.4174 -2.4174 -3.1077 -4.5826 -3.8923 -3.8923 -4.5826 -2.1546 1.1546 0.19 -1.3329 0.3329 1.69 1.69 3.31 2.9631 3.81 4.0369 4.5 5.12 4.5 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 3 3 4 4 10 11 11 12 14 15 16 16 17 19 19 21 22 10 13 12 13 11 12 14 15 17 18 20 22 18 20 21 23 23 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 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07BA0000000000000000000000000000000000000003C7881000000000000B1F400001E00100000000C08E19E0633F0F7C81400A003266264008280292102A00998203864988A28A2C0D9D1872408689002D8C8271080800E88000040001200001000008000240000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3,4-dimethylphenyl)-4-morpholino-quinazolin-2-amine IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3,4-dimethylphenyl)-4-(4-morpholinyl)-2-quinazolinamine IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 <I>N</I>-(3,4-dimethylphenyl)-4-morpholin-4-ylquinazolin-2-amine IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3,4-dimethylphenyl)-4-morpholin-4-ylquinazolin-2-amine IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 N-(3,4-dimethylphenyl)-4-morpholin-4-yl-quinazolin-2-amine IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 (3,4-dimethylphenyl)-(4-morpholinoquinazolin-2-yl)amine InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C20H22N4O/c1-14-7-8-16(13-15(14)2)21-20-22-18-6-4-3-5-17(18)19(23-20)24-9-11-25-12-10-24/h3-8,13H,9-12H2,1-2H3,(H,21,22,23) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 DVHXINSDRFYMTJ-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 4.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.17936134 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C20H22N4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 334.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)N4CCOCC4)C SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CC1=C(C=C(C=C1)NC2=NC3=CC=CC=C3C(=N2)N4CCOCC4)C 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 2021.05.07 334.17936134 25 0 0 0 0 0 0 0 1 -1