60233478 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 8 8 8 7 7 7 7 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 4 5 5 6 6 7 7 7 8 8 8 8 9 9 9 10 10 11 11 11 12 12 13 13 15 15 16 16 18 18 19 19 20 22 22 22 23 23 23 13 35 20 22 21 23 10 12 14 14 15 14 17 17 38 39 9 10 13 24 11 25 26 27 28 12 29 30 31 32 33 34 16 18 17 19 20 36 21 37 21 40 41 42 43 44 45 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 2 1 2 1 1 1 1 2 1 1 1 1 1 1 8 9 10 13 24 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 11.5942 2.868 2.868 8.1301 6.3981 7.2641 6.3981 9.8622 9.8622 8.9962 8.9962 8.1301 10.7282 7.2641 5.532 5.532 6.3981 4.6381 4.6381 3.732 3.732 2.8718 2 10.3991 10.4728 10.0742 8.5976 9.3947 9.3947 8.5976 7.9181 7.5195 10.3297 11.1267 12.1312 4.6453 4.6453 6.935 5.8611 3.4918 2.8742 2.2518 2.3079 1.4619 1.6921 0.905 0.9292 -1.1192 0.905 0.905 -0.595 -2.095 0.905 1.905 0.405 2.405 1.905 0.405 0.405 0.405 -0.595 -1.095 0.9397 -1.1297 0.4258 -0.6158 1.9291 -0.6225 1.215 1.7973 2.4876 -0.0699 -0.0699 2.88 2.88 2.4876 1.7973 -0.0699 -0.0699 0.595 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 15 15 16 16 18 19 20 14 15 14 17 13 16 18 17 19 20 21 21 0 Compound Canonicalized 5 2012.05.21 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 386 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 4 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BB0000000000000000000000000000000000000003C5880000000000000B1F000001E00100800000D0CE19E0633F6F7481600A003266264008288292122A00198203EEC988D3EA2C4F8DB84742A6EC01BCAE827B0D0130E20400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 [1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-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-piperidinyl]methanol IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 [1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-3-yl]methanol IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 [1-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperidin-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)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-piperidyl]methanol InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H22N4O3/c1-22-13-6-11-12(7-14(13)23-2)18-16(19-15(11)17)20-5-3-4-10(8-20)9-21/h6-7,10,21H,3-5,8-9H2,1-2H3,(H2,17,18,19) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 OIAJBKJKKIQMNX-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 1.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 318.16919058 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H22N4O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 318.37 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCCC(C3)CO)N)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCCC(C3)CO)N)OC 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 2021.05.07 318.16919058 23 1 0 1 0 0 0 0 1 -1