71166195 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 51 52 53 54 55 56 57 58 59 60 61 62 8 8 7 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 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 1 1 1 1 1 1 1 2 2 3 3 3 4 4 5 5 6 6 7 7 7 8 8 8 9 9 9 10 11 11 11 12 12 12 13 13 14 15 15 16 16 16 17 17 17 18 18 19 22 22 22 23 24 24 24 25 25 26 26 27 27 28 28 29 29 30 31 31 31 19 22 20 24 8 9 10 10 21 14 21 21 23 23 25 55 11 32 33 12 34 35 13 16 36 37 17 38 39 14 15 18 19 40 41 42 43 44 45 46 20 47 20 49 50 51 48 52 53 54 26 28 27 56 29 31 30 57 30 58 59 60 61 62 1 1 1 1 1 1 1 2 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 2 2 1 1 1 1 1 2 1 1 1 1 1 6 -1 21 23 7 48 3 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 51 52 53 54 55 56 57 58 59 60 61 62 2.868 2.868 6.3981 7.2641 6.3981 8.1301 8.9962 7.2641 5.532 6.3981 7.2641 5.532 5.532 5.532 4.6381 8.1301 4.666 4.6381 3.732 3.732 7.2641 2 8.1301 2.8718 8.9962 9.8622 9.8622 8.1301 8.9962 8.1301 10.7282 7.8747 7.4762 5.32 4.9215 6.6535 7.052 5.7441 6.1426 4.6453 7.8201 8.6671 8.4401 4.356 4.1291 4.976 4.6453 7.5932 2.3079 1.4619 1.6921 3.4918 2.8742 2.2518 9.5331 10.3991 7.5932 8.9962 7.5932 11.0382 11.2651 10.4182 -1.7742 0.2742 -2.75 -1.25 0.25 0.25 1.75 -3.25 -3.25 -1.75 -4.25 -4.25 -1.25 -0.25 -1.7847 -4.75 -4.75 0.2847 -1.2708 -0.2292 -0.25 -1.2775 1.25 1.2741 2.75 3.25 4.25 3.25 4.75 4.25 4.75 -3.3577 -2.6674 -2.6674 -3.3577 -4.1423 -4.8326 -4.8326 -4.1423 -2.4046 -5.2869 -5.06 -4.2131 -4.2131 -5.06 -5.2869 0.9046 1.56 -0.7394 -0.9696 -1.8156 1.2718 1.8941 1.2765 1.44 2.94 2.94 5.37 4.56 4.2131 5.06 5.2869 8 8 8 8 1 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 6 10 13 13 14 15 18 19 25 25 26 27 28 29 10 21 14 21 23 13 14 15 18 19 20 20 26 28 27 29 30 30 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 542 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 10 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BB0000000000000000000000000000000000000003C6080000000000000B1F400001E00100000000C0CC19E0633F6F7C81400A003266364008288292122A00998A03EEC988D2EA2C4F9DB84342A6ED01BCAE827B0D0130E20400142000240004080028400048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-[4-(dipropylamino)-6,7-dimethoxy-quinazolin-2-yl]-N-(m-tolyl)formamidine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-[4-(dipropylamino)-6,7-dimethoxy-2-quinazolinyl]-N-(3-methylphenyl)methanimidamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>&apos;-[4-(dipropylamino)-6,7-dimethoxyquinazolin-2-yl]-<I>N</I>-(3-methylphenyl)methanimidamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-[4-(dipropylamino)-6,7-dimethoxyquinazolin-2-yl]-N-(3-methylphenyl)methanimidamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-[4-(dipropylamino)-6,7-dimethoxy-quinazolin-2-yl]-N-(3-methylphenyl)methanimidamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-[4-(dipropylamino)-6,7-dimethoxy-quinazolin-2-yl]-N-(m-tolyl)formamidine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C24H31N5O2/c1-6-11-29(12-7-2)23-19-14-21(30-4)22(31-5)15-20(19)27-24(28-23)26-16-25-18-10-8-9-17(3)13-18/h8-10,13-16H,6-7,11-12H2,1-5H3,(H,25,26,27,28) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 TZPWEGLTEURWKW-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 5.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 421.24777525 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C24H31N5O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 421.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCN(CCC)C1=NC(=NC2=CC(=C(C=C21)OC)OC)N=CNC3=CC=CC(=C3)C SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCN(CCC)C1=NC(=NC2=CC(=C(C=C21)OC)OC)N=CNC3=CC=CC(=C3)C Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 71.9 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 421.24777525 31 0 0 0 1 0 1 0 1 -1