21002925 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 8 8 7 7 7 7 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 2 2 3 3 3 4 4 4 5 5 6 6 7 7 7 8 8 8 9 9 10 10 11 11 11 12 13 13 14 14 15 16 16 17 17 18 19 20 21 21 21 14 37 19 21 7 8 11 9 10 12 12 18 15 18 9 22 23 10 24 25 26 27 28 29 14 30 31 13 15 16 32 33 17 19 34 20 35 36 20 38 39 40 41 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 1 1 1 2 1 1 1 1 2 1 2 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 7.2641 2.868 6.3981 6.3981 7.2641 6.3981 5.532 7.2641 5.532 7.2641 6.3981 6.3981 5.532 7.2641 5.532 4.6381 4.6381 7.2641 3.732 3.732 2 4.9215 5.32 7.4762 7.8747 5.32 4.9215 7.8747 7.4762 5.7875 6.186 7.8747 7.4762 4.6453 4.6453 7.801 7.801 3.1963 2.3079 1.4619 1.6921 -3.6123 1.8635 -1.1123 0.8877 2.3877 3.8877 -0.6123 -0.6123 0.3877 0.3877 -2.1123 1.8877 2.3877 -2.6123 3.3877 1.853 3.9223 3.3877 2.3668 3.4085 2.3602 -0.5047 -1.1949 -1.1949 -0.5047 0.9703 0.28 0.28 0.9703 -2.0047 -2.6949 -2.72 -2.0297 1.233 4.5423 3.6977 -3.9223 3.7206 2.8983 2.6681 1.822 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 12 13 13 15 16 17 19 12 18 15 18 13 15 16 17 19 20 20 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 323 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E073B0000000000000000000000000000000000000003C5880000000000000B1F000001E00000800000C0CE19E0637F6F7081600A003266364008288293122A009D8203E6C988E7EA2C4F9DB9434286CC013D8E827B0C0100E00400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[4-(6-methoxyquinazolin-4-yl)piperazin-1-yl]ethanol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[4-(6-methoxy-4-quinazolinyl)-1-piperazinyl]ethanol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[4-(6-methoxyquinazolin-4-yl)piperazin-1-yl]ethanol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[4-(6-methoxyquinazolin-4-yl)piperazin-1-yl]ethanol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[4-(6-methoxyquinazolin-4-yl)piperazin-1-yl]ethanol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 2-[4-(6-methoxyquinazolin-4-yl)piperazino]ethanol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C15H20N4O2/c1-21-12-2-3-14-13(10-12)15(17-11-16-14)19-6-4-18(5-7-19)8-9-20/h2-3,10-11,20H,4-9H2,1H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 KCHZVDOZWHNIIR-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.1 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 288.15862589 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C15H20N4O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 288.34 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC2=C(C=C1)N=CN=C2N3CCN(CC3)CCO SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=CC2=C(C=C1)N=CN=C2N3CCN(CC3)CCO Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 61.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 288.15862589 21 0 0 0 0 0 0 0 1 -1