70666064 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 17 17 8 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 2 3 3 4 4 5 5 5 6 6 6 7 7 8 8 9 9 9 10 10 11 11 12 12 12 13 14 14 15 15 15 16 17 17 18 19 19 19 20 20 21 21 22 23 24 24 26 27 28 28 28 29 29 29 16 23 22 28 25 29 10 12 13 9 19 35 13 27 18 27 10 11 30 31 32 16 17 15 33 34 14 18 20 36 37 38 24 23 39 21 40 41 42 22 43 25 44 25 26 26 45 46 47 48 49 50 51 52 53 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 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 1 2 1 2 1 1 1 1 1 1 1 1 1 9 6 10 11 30 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 7.172 10.659 2.866 2.866 6.3465 6.3233 7.2641 6.358 7.1951 7.2067 8.0553 5.4747 6.358 5.4641 4.6146 8.0437 8.927 5.4641 6.3118 4.5981 4.5981 3.732 9.7872 8.9039 3.732 9.7757 7.2641 2 2.866 6.6618 7.816 7.4254 5.0707 5.8677 5.79 4.9307 4.0812 4.2984 8.9342 5.6918 6.3046 6.9318 4.5981 4.5981 8.8967 10.309 7.7998 2.31 1.4631 1.69 3.486 2.866 2.246 -3.7622 -1.8024 0.7822 2.7822 -0.2524 -2.2523 1.2614 2.8169 -1.7623 -0.7624 -2.2723 -0.7423 0.7475 1.2822 -0.2324 -3.2722 -1.7823 2.2822 -3.2522 0.7822 2.7822 1.2822 -2.2923 -3.7822 2.2822 -3.2922 2.303 1.2822 3.7822 -1.4461 -0.8771 -0.1823 -1.2126 -1.2219 -1.9361 0.301 0.0838 -0.7657 -1.1624 -3.245 -3.8722 -3.2594 0.1622 3.4022 -4.4022 -3.6084 2.6151 1.8191 1.5922 0.7453 3.7822 4.4022 3.7822 8 8 8 8 3 8 8 8 8 8 8 8 8 8 8 8 8 8 7 7 8 8 9 11 11 13 14 14 16 17 18 20 21 22 23 24 13 27 18 27 10 16 17 14 18 20 24 23 21 22 25 25 26 26 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 503 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 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BB0000600000000000000000000000000000000003C6080000000000000B1F400001E02100000000C2EC19E2637F6F7C81400A003266364008288293127A009D8A03EEE988D6EA2C5FBDB94342A6ED01BCAE827B0D0930E20401122000340004080224400068000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(2,5-dichlorophenyl)-N'-(6,7-dimethoxyquinazolin-4-yl)-N'-ethyl-N-methyl-ethane-1,2-diamine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(2,5-dichlorophenyl)-N'-(6,7-dimethoxy-4-quinazolinyl)-N'-ethyl-N-methylethane-1,2-diamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(2,5-dichlorophenyl)-<I>N</I>&apos;-(6,7-dimethoxyquinazolin-4-yl)-<I>N</I>&apos;-ethyl-<I>N</I>-methylethane-1,2-diamine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(2,5-dichlorophenyl)-N'-(6,7-dimethoxyquinazolin-4-yl)-N'-ethyl-N-methylethane-1,2-diamine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[2,5-bis(chloranyl)phenyl]-N'-(6,7-dimethoxyquinazolin-4-yl)-N'-ethyl-N-methyl-ethane-1,2-diamine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 [2-(2,5-dichlorophenyl)-2-(methylamino)ethyl]-(6,7-dimethoxyquinazolin-4-yl)-ethyl-amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C21H24Cl2N4O2/c1-5-27(11-18(24-2)14-8-13(22)6-7-16(14)23)21-15-9-19(28-3)20(29-4)10-17(15)25-12-26-21/h6-10,12,18,24H,5,11H2,1-4H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 WVAPPASODDWHNF-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 4.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 434.1276314 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C21H24Cl2N4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 435.3 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCN(CC(C1=C(C=CC(=C1)Cl)Cl)NC)C2=NC=NC3=CC(=C(C=C32)OC)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCN(CC(C1=C(C=CC(=C1)Cl)Cl)NC)C2=NC=NC3=CC(=C(C=C32)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 59.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 434.1276314 29 1 0 1 0 0 0 0 1 -1