69873234 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 8 8 8 8 7 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 1 1 1 1 1 1 1 1 1 2 2 3 3 4 4 5 5 5 6 6 6 7 7 8 8 9 9 9 10 10 10 11 11 12 12 14 14 15 15 16 17 17 18 18 19 21 21 21 22 22 22 23 23 24 24 25 25 25 26 26 26 19 21 20 22 23 25 24 26 9 10 13 11 12 35 13 14 13 16 11 27 28 12 29 30 31 32 33 34 15 17 16 18 36 19 37 20 38 20 23 39 40 24 41 42 43 44 45 46 47 48 49 50 51 52 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 2 1 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 1 2 1 1 1 1 1 1 1 1 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 48 49 50 51 52 3.732 3.732 2.866 2.866 8.9942 10.7224 7.2241 8.1301 8.9904 9.8622 9.8545 10.7263 8.1301 6.3301 6.3301 7.2241 5.4641 5.4641 4.5981 4.5981 3.732 3.732 2.866 2.866 2 2 8.3802 8.7761 10.2625 9.4655 9.4541 10.2512 11.3364 10.9406 11.2581 7.2169 5.4641 5.4641 3.9441 4.3426 4.3426 3.9441 2.654 2.2554 2.2554 2.654 1.69 1.4631 2.31 2.31 1.4631 1.69 -1 1 -3.5 3.5 -1.0241 -2.0308 -1.0347 0.5208 -2.0241 -0.5275 -2.5275 -1.0308 -0.5208 -0.5 0.5 1.0347 -1 1 -0.5 0.5 -2 2 -2.5 2.5 -4 4 -1.9141 -2.6059 -0.0541 -0.051 -3.0009 -3.004 -1.1408 -0.449 -2.3429 1.6546 -1.62 1.62 -2.5826 -1.8923 1.8923 2.5826 -1.9174 -2.6077 2.6077 1.9174 -3.4631 -4.31 -4.5369 4.5369 4.31 3.4631 8 8 8 8 8 8 8 8 8 8 8 7 7 8 8 14 14 15 15 17 18 19 13 14 13 16 15 17 16 18 19 20 20 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 397 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 8 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 9 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BB8000000000000000000000000000000000000003C5880000000000000B1F000001E00100000000C0CE19E063FD6F7C81400A003346764008288293122A001D8A03EEC988D6EA2C4F9DB963C2AEED01BCAE827B0D0130E20400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-bis(2-methoxyethoxy)-2-piperazin-1-yl-quinazoline IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-bis(2-methoxyethoxy)-2-(1-piperazinyl)quinazoline IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-bis(2-methoxyethoxy)-2-piperazin-1-ylquinazoline IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-bis(2-methoxyethoxy)-2-piperazin-1-ylquinazoline IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-bis(2-methoxyethoxy)-2-piperazin-1-yl-quinazoline IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-bis(2-methoxyethoxy)-2-piperazino-quinazoline InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H26N4O4/c1-23-7-9-25-16-11-14-13-20-18(22-5-3-19-4-6-22)21-15(14)12-17(16)26-10-8-24-2/h11-13,19H,3-10H2,1-2H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 MUKFZTQSCMBKJK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 362.19540532 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H26N4O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 362.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COCCOC1=C(C=C2C(=C1)C=NC(=N2)N3CCNCC3)OCCOC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COCCOC1=C(C=C2C(=C1)C=NC(=N2)N3CCNCC3)OCCOC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 78 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 362.19540532 26 0 0 0 0 0 0 0 1 -1