69778553 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 8 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 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 11 12 12 13 13 14 15 15 17 18 18 19 19 20 22 23 23 23 24 24 25 25 25 26 26 26 16 21 23 20 25 24 26 10 11 14 12 13 16 14 22 17 22 16 38 39 12 27 28 13 29 30 31 32 33 34 15 17 18 19 20 35 21 36 21 37 24 40 41 42 43 44 45 46 47 48 49 2 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 2 2 1 1 1 1 2 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 6.3061 3.732 3.732 2.866 7.2125 7.1894 8.1301 7.2241 8.038 8.0727 6.3408 8.0611 6.3292 7.2241 6.3301 7.1778 6.3301 5.4641 5.4641 4.5981 4.5981 8.1301 3.732 2.866 2.866 2 8.682 8.2915 6.1355 5.729 8.2664 8.6729 5.7199 6.1104 5.4641 5.4641 8.6659 8.0308 8.5785 4.3426 3.9441 2.2554 2.654 3.176 2.3291 2.556 2.31 1.4631 1.69 -4.4422 2.0822 0.0822 4.5822 -0.9524 -2.9523 0.5614 2.1168 -4.4622 -1.4624 -1.4424 -2.4623 -2.4423 0.0475 0.5822 -3.9522 1.5822 0.0822 2.0822 0.5822 1.5822 1.603 3.0822 3.5822 0.5822 5.0822 -1.5771 -0.8823 -0.8574 -1.543 -3.0474 -2.3617 -2.3276 -3.0224 -0.5378 2.7022 1.915 -5.0822 -4.1584 2.9745 3.6648 3.6898 2.9996 1.1191 0.8922 0.0452 5.6191 5.3922 4.5452 8 8 8 8 8 8 8 8 8 8 8 7 7 8 8 14 15 15 17 18 19 20 14 22 17 22 15 17 18 19 20 21 21 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 460 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 7 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BB8000000000000000000000000000000000000003C5880000000000000B1F000001E00100000000C0CE19E0637F6F7481400A803266374008288293122A001D8203EEC988D6EA2C4F8DB963C2AEEC61BCAE827B0D0130E20400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[6-methoxy-7-(2-methoxyethoxy)-4-quinazolinyl]-1-piperazinecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 4-[6-methoxy-7-(2-methoxyethoxy)quinazolin-4-yl]piperazine-1-carboxamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H23N5O4/c1-24-7-8-26-15-10-13-12(9-14(15)25-2)16(20-11-19-13)21-3-5-22(6-4-21)17(18)23/h9-11H,3-8H2,1-2H3,(H2,18,23) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 GMJJLYQEKLSGBE-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 0.5 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 361.17500423 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H23N5O4 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 361.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COCCOC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=O)N)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COCCOC1=C(C=C2C(=C1)N=CN=C2N3CCN(CC3)C(=O)N)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 103 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 361.17500423 26 0 0 0 0 0 0 0 1 -1