21002921 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 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 2 3 3 3 4 4 5 5 6 6 6 7 7 7 8 8 8 9 9 10 10 11 11 11 12 13 13 13 14 14 15 16 16 17 18 18 19 20 21 21 21 19 21 9 10 11 6 12 13 12 17 15 17 7 8 22 9 23 24 10 25 26 27 28 29 30 31 32 33 14 34 35 36 15 16 18 19 37 38 20 39 20 40 41 42 43 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 1 2 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 2.868 8.9962 6.3981 7.2641 6.3981 7.2641 7.2641 8.1301 8.1301 8.9962 9.8622 6.3981 5.532 5.532 5.532 4.6381 7.2641 4.6381 3.732 3.732 2 7.2641 6.6535 7.052 8.5287 7.7316 7.7316 8.5287 9.6067 9.2082 9.5522 10.3991 10.1722 5.222 4.9951 5.8421 4.6453 7.801 4.6453 3.1963 2.3079 1.4619 1.6921 0.4585 -2.0173 -0.5173 0.9827 2.4827 -1.0173 -2.0173 -0.5173 -2.5173 -1.0173 -2.5173 0.4827 -1.0173 0.9827 1.9827 0.448 1.9827 2.5173 0.9619 2.0035 0.9552 -0.3973 -1.9097 -2.5999 -0.0424 -0.0424 -2.9923 -2.9923 -1.125 -0.4347 -3.0543 -2.8273 -1.9804 -0.4804 -1.3273 -1.5543 -0.172 2.2927 3.1373 2.3156 1.4933 1.2631 0.4171 8 8 8 8 8 8 8 8 8 8 8 4 4 5 5 12 14 14 15 16 18 19 12 17 15 17 14 15 16 18 19 20 20 0 Compound Canonicalized 5 2011.04.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 332 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 5 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 0 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 3 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BA0000000000000000000000000000000000000003C5880000000000000B1F000001E00000000000C2CC19E0637F6F7081400A003266364008288293122A009D8203E6C988C2EA2C4F9DB8434286CC013C8E827B0C0100E00400100000200000080020000040000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 6-methoxy-N-methyl-N-(1-methyl-4-piperidyl)quinazolin-4-amine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 6-methoxy-N-methyl-N-(1-methyl-4-piperidinyl)-4-quinazolinamine IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 6-methoxy-<I>N</I>-methyl-<I>N</I>-(1-methylpiperidin-4-yl)quinazolin-4-amine IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 6-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)quinazolin-4-amine IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 6-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)quinazolin-4-amine IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 (6-methoxyquinazolin-4-yl)-methyl-(1-methyl-4-piperidyl)amine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C16H22N4O/c1-19-8-6-12(7-9-19)20(2)16-14-10-13(21-3)4-5-15(14)17-11-18-16/h4-5,10-12H,6-9H2,1-3H3 InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 QKVOFEVDKXOTPG-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.6 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 286.17936134 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C16H22N4O Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 286.37 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CN1CCC(CC1)N(C)C2=NC=NC3=C2C=C(C=C3)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CN1CCC(CC1)N(C)C2=NC=NC3=C2C=C(C=C3)OC Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 41.5 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 286.17936134 21 0 0 0 0 0 0 0 1 -1