56554170 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 8 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 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 4 4 4 5 5 5 6 6 7 7 8 8 8 9 9 9 10 10 10 11 11 12 12 13 13 13 15 15 16 16 17 17 19 19 20 20 21 21 22 24 24 25 25 26 26 27 27 28 29 29 29 30 30 30 15 21 22 29 23 30 9 10 13 11 12 14 14 16 14 18 18 45 46 11 31 32 12 33 34 35 36 37 38 15 39 40 41 42 17 19 18 20 22 43 23 44 24 25 23 26 47 27 48 28 49 28 50 51 52 53 54 55 56 57 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 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 2 1 1 2 1 2 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 53 54 55 56 57 12.4602 2.868 2.868 9.8622 8.1301 6.3981 7.2641 6.3981 8.9962 9.8622 8.1301 8.9962 10.7282 7.2641 11.5942 5.532 5.532 6.3981 4.6381 4.6381 13.3263 3.732 3.732 13.3263 14.1923 14.1923 15.0583 15.0583 2.8718 2 9.3947 8.5976 10.0742 10.4728 7.9181 7.5195 8.5976 9.3947 11.1267 10.3297 11.1957 11.9928 4.6453 4.6453 6.935 5.8611 12.7893 14.1923 14.1923 15.5953 15.5953 3.4918 2.8742 2.2518 2.3079 1.4619 1.6921 2.405 0.9292 -1.1192 1.905 0.905 0.905 -0.595 -2.095 2.405 0.905 1.905 0.405 2.405 0.405 1.905 0.405 -0.595 -1.095 0.9397 -1.1297 1.905 0.4258 -0.6158 0.905 2.405 0.405 1.905 0.905 1.9291 -0.6225 2.88 2.88 0.3224 1.0127 2.4876 1.7973 -0.0699 -0.0699 2.88 2.88 1.43 1.43 1.5596 -1.7496 -2.405 -2.405 0.595 3.025 -0.215 2.215 0.595 1.9268 2.5491 1.9315 -0.0844 -0.3146 -1.1606 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 6 6 7 7 16 16 17 17 19 20 21 21 22 24 25 26 27 14 16 14 18 17 19 18 20 22 23 24 25 23 26 27 28 28 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 513 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 7 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BB0000000000000000000000000000000000000003C7881000000000000B1F400001E00100000000C0CE19E0633F6F7481400A003266264008288292122A00998203EEC988F6EA2C4F9DB973C2AEEC01BDAE827B0D0130E20400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-2-[4-(2-phenoxyethyl)piperazin-1-yl]quinazolin-4-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-2-[4-(2-phenoxyethyl)-1-piperazinyl]-4-quinazolinamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-2-[4-(2-phenoxyethyl)piperazin-1-yl]quinazolin-4-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-2-[4-(2-phenoxyethyl)piperazin-1-yl]quinazolin-4-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-2-[4-(2-phenoxyethyl)piperazin-1-yl]quinazolin-4-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 [6,7-dimethoxy-2-[4-(2-phenoxyethyl)piperazino]quinazolin-4-yl]amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C22H27N5O3/c1-28-19-14-17-18(15-20(19)29-2)24-22(25-21(17)23)27-10-8-26(9-11-27)12-13-30-16-6-4-3-5-7-16/h3-7,14-15H,8-13H2,1-2H3,(H2,23,24,25) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 UKMUHYSNDWMHKN-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 409.21138974 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C22H27N5O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 409.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)CCOC4=CC=CC=C4)N)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)CCOC4=CC=CC=C4)N)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 86 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 409.21138974 30 0 0 0 0 0 0 0 1 -1