70714936 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 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 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 1 2 2 3 3 4 4 4 5 5 6 6 7 7 7 8 8 8 8 9 9 9 10 10 11 11 11 12 12 12 13 13 14 14 15 15 15 17 17 17 18 18 19 20 21 21 22 22 23 25 25 25 26 26 26 14 44 23 25 24 26 10 13 16 16 18 16 19 19 47 48 9 10 11 14 12 27 28 29 30 15 31 32 13 33 34 35 36 37 38 17 39 40 41 42 43 20 21 20 22 23 45 24 46 24 49 50 51 52 53 54 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 1 1 1 1 1 1 1 1 1 1 2 1 2 1 1 1 1 2 1 1 1 1 1 1 8 9 10 11 14 3 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 11.3622 2.868 2.868 8.1301 6.3981 7.2641 6.3981 9.8622 9.8622 8.9962 10.3622 8.9962 8.1301 10.8622 9.8622 7.2641 10.3622 5.532 6.3981 5.532 4.6381 4.6381 3.732 3.732 2.8718 2 10.4728 10.0742 8.5976 9.3947 10.8371 10.8371 9.3947 8.5976 7.9181 7.5195 10.7545 11.4448 9.3872 9.3872 9.8252 10.6722 10.8991 11.9822 4.6453 4.6453 6.935 5.8611 3.4918 2.8742 2.2518 2.3079 1.4619 1.6921 1.771 0.9292 -1.1192 0.905 0.905 -0.595 -2.095 0.905 1.905 0.405 0.039 2.405 1.905 0.905 -0.8271 0.405 -1.6931 0.405 -1.095 -0.595 0.9397 -1.1297 0.4258 -0.6158 1.9291 -0.6225 1.7973 2.4876 -0.0699 -0.0699 -0.3596 0.4375 2.88 2.88 2.4876 1.7973 0.2944 0.6929 -0.4285 -1.2256 -2.0031 -2.23 -1.3831 1.771 1.5596 -1.7496 -2.405 -2.405 1.9268 2.5491 1.9315 -0.0844 -0.3146 -1.1606 8 8 8 8 3 8 8 8 8 8 8 8 5 5 6 6 8 18 18 19 20 21 22 23 16 18 16 19 11 20 21 20 22 23 24 24 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 455 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 2 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 00000371E07BB0000000000000000000000000000000000000003C5880000000000000B1F000001E00100800000E0CE19E0633F6F7481600A003266264008288292122A00198203EEC988D3EA2C4F8DB84742A6EC01BCAE827B0D0130F20400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 [1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-3-propyl-3-piperidyl]methanol IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 [1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-3-propyl-3-piperidinyl]methanol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 [1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-3-propylpiperidin-3-yl]methanol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 [1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-3-propylpiperidin-3-yl]methanol IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 [1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-3-propyl-piperidin-3-yl]methanol IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 [1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-3-propyl-3-piperidyl]methanol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H28N4O3/c1-4-6-19(12-24)7-5-8-23(11-19)18-21-14-10-16(26-3)15(25-2)9-13(14)17(20)22-18/h9-10,24H,4-8,11-12H2,1-3H3,(H2,20,21,22) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 VMPITKZSFWXUAL-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 360.21614077 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H28N4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 360.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCCC1(CCCN(C1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC)CO SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCCC1(CCCN(C1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC)CO Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 93.7 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 360.21614077 26 1 0 1 0 0 0 0 1 -1