69689011 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 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 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 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 13 14 14 14 15 15 15 17 17 18 19 20 20 21 21 22 24 24 24 25 25 25 22 24 23 25 12 13 39 11 15 16 16 17 16 18 18 45 46 9 10 11 14 12 26 27 13 28 29 30 31 32 33 34 35 36 37 38 40 41 42 19 20 19 21 22 43 23 44 23 47 48 49 50 51 52 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 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 47 48 49 50 51 52 2.868 2.868 10.8622 8.1301 6.3981 7.2641 6.3981 9.8622 9.3622 10.8622 8.9962 9.8622 11.3622 9.8622 8.1301 7.2641 5.532 6.3981 5.532 4.6381 4.6381 3.732 3.732 2.8718 2 8.8872 8.8872 10.7545 11.4448 8.5976 9.3947 9.9698 9.2796 11.8371 11.8371 9.2422 9.8622 10.4822 11.1722 8.7501 8.1301 7.5101 4.6453 4.6453 6.935 5.8611 3.4918 2.8742 2.2518 2.3079 1.4619 1.6921 0.5447 -1.5036 2.2526 0.5205 0.5205 -0.9795 -2.4795 0.5205 1.3865 0.5205 0.0205 2.2526 1.3865 -0.4795 1.5205 0.0205 0.0205 -1.4795 -0.9795 0.5552 -1.5142 0.0413 -1.0003 1.5446 -1.007 1.7851 0.988 -0.0901 0.3085 -0.4544 -0.4544 2.8631 2.4646 0.988 1.7851 -0.4795 -1.0995 -0.4795 2.7895 1.5205 2.1405 1.5205 1.1751 -2.1341 -2.7895 -2.7895 1.5423 2.1646 1.547 -0.4689 -0.6991 -1.5451 8 8 8 8 8 8 8 8 8 8 8 5 5 6 6 17 17 18 19 20 21 22 16 17 16 18 19 20 19 21 22 23 23 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 432 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 5 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BB0000000000000000000000000000000000000003C5880000000000000B1F000001E00100000000E0CC19E0633F6F7C81400A003266264008288292122A00198A03EEC988D2EA2C4F8DB84342A6ED01BCAE827B0D0130F20400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-N2-methyl-N2-[(4-methyl-4-piperidyl)methyl]quinazoline-2,4-diamine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-N2-methyl-N2-[(4-methyl-4-piperidinyl)methyl]quinazoline-2,4-diamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-2-<I>N</I>-methyl-2-<I>N</I>-[(4-methylpiperidin-4-yl)methyl]quinazoline-2,4-diamine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-2-N-methyl-2-N-[(4-methylpiperidin-4-yl)methyl]quinazoline-2,4-diamine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 6,7-dimethoxy-N2-methyl-N2-[(4-methylpiperidin-4-yl)methyl]quinazoline-2,4-diamine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (4-amino-6,7-dimethoxy-quinazolin-2-yl)-methyl-[(4-methyl-4-piperidyl)methyl]amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C18H27N5O2/c1-18(5-7-20-8-6-18)11-23(2)17-21-13-10-15(25-4)14(24-3)9-12(13)16(19)22-17/h9-10,20H,5-8,11H2,1-4H3,(H2,19,21,22) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 MCXAIELBMNBSDK-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.3 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 345.21647512 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C18H27N5O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 345.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1(CCNCC1)CN(C)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1(CCNCC1)CN(C)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 85.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 345.21647512 25 0 0 0 0 0 0 0 1 -1