70576533 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 8 8 8 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 2 2 3 3 4 4 4 5 5 6 6 7 7 7 8 8 8 8 9 9 9 10 10 10 11 11 12 12 13 15 15 15 16 16 17 17 19 19 20 20 21 23 23 23 24 24 24 13 21 23 22 24 11 12 14 14 16 14 18 18 39 40 9 10 13 25 11 26 27 12 28 29 30 31 32 33 15 34 35 36 17 19 18 20 21 37 22 38 22 41 42 43 44 45 46 2 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 1 1 1 2 1 2 1 1 1 1 2 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 10.7282 2.868 2.868 8.1301 6.3981 7.2641 6.3981 9.8622 8.9962 9.8622 8.1301 8.9962 10.7282 7.2641 11.5942 5.532 5.532 6.3981 4.6381 4.6381 3.732 3.732 2.8718 2 10.3991 9.3947 8.5976 10.0742 10.4728 7.9181 7.5195 8.5976 9.3947 11.2842 12.1312 11.9042 4.6453 4.6453 6.935 5.8611 3.4918 2.8742 2.2518 2.3079 1.4619 1.6921 2.905 0.4292 -1.6192 0.405 0.405 -1.095 -2.595 1.405 1.905 0.405 1.405 -0.095 1.905 -0.095 1.405 -0.095 -1.095 -1.595 0.4397 -1.6297 -0.0742 -1.1158 1.4291 -1.1225 1.095 2.38 2.38 -0.1776 0.5127 1.9876 1.2973 -0.5699 -0.5699 0.8681 1.095 1.9419 1.0596 -2.2496 -2.905 -2.905 1.4268 2.0491 1.4315 -0.5844 -0.8146 -1.6606 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 16 16 17 17 19 20 21 14 16 14 18 17 19 18 20 21 22 22 0 Compound Canonicalized 5 2012.11.26 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 442 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BB0000000000000000000000000000000000000003C5880000000000000B1F000001E00100000000D0CC19E0633F6F7481400A803A67264008288292122A00198213EEC988D2EB2C4F8DB84342A6EC01BCAE827B4D0130E20400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-piperidyl]ethanone IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-piperidinyl]ethanone IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]ethanone IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-4-yl]ethanone IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)piperidin-4-yl]ethanone IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-[1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-4-piperidyl]ethanone InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C17H22N4O3/c1-10(22)11-4-6-21(7-5-11)17-19-13-9-15(24-3)14(23-2)8-12(13)16(18)20-17/h8-9,11H,4-7H2,1-3H3,(H2,18,19,20) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 DLZOQUQYROAKTI-UHFFFAOYSA-N Log P XLogP3 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 330.16919058 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C17H22N4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 330.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)C1CCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC(=O)C1CCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 90.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 330.16919058 24 0 0 0 0 0 0 0 1 -1