70576736 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 55 56 57 8 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 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 5 6 6 7 7 8 8 8 9 9 9 10 10 10 11 11 11 12 12 12 13 13 16 16 16 17 17 17 18 18 19 19 21 21 21 22 22 22 23 23 24 24 25 27 27 27 28 28 28 14 25 27 26 28 9 13 15 14 16 17 15 18 15 20 20 50 51 10 14 29 11 30 31 12 32 33 13 34 35 36 37 21 38 39 22 40 41 19 23 20 24 42 43 44 45 46 47 25 48 26 49 26 52 53 54 55 56 57 2 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 2 1 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 9 4 10 14 29 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 55 56 57 8.1301 2.868 2.868 8.1301 9.8622 6.3981 7.2641 6.3981 8.9962 9.8622 9.8622 8.9962 8.1301 8.9962 7.2641 9.8622 10.7282 5.532 5.532 6.3981 10.7282 11.5942 4.6381 4.6381 3.732 3.732 2.8718 2 8.4592 10.0742 10.4728 10.4728 10.0742 9.3947 8.5976 7.9181 7.5195 9.2516 9.6501 11.1267 10.3297 10.4182 11.2651 11.0382 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 -1 1.0241 -1.0241 1 -1 1 -0.5 -2 0.5 1 2 2.5 2 -0.5 0.5 -2 -0.5 0.5 -0.5 -1 -2.5 -1 1.0347 -1.0347 0.5208 -0.5208 2.0241 -0.5275 0.19 0.4174 1.1077 1.8923 2.5826 2.975 2.975 2.5826 1.8923 -1.8923 -2.5826 -0.0251 -0.0251 -3.0369 -2.81 -1.9631 -1.5369 -1.31 -0.4631 1.6546 -1.6546 -2.31 -2.31 2.0218 2.6441 2.0265 0.0106 -0.2196 -1.0656 8 8 8 8 3 8 8 8 8 8 8 8 6 6 7 7 9 18 18 19 19 23 24 25 15 18 15 20 14 19 23 20 24 25 26 26 0 Compound Canonicalized 5 2019.01.04 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 518 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 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BB0000000000000000000000000000000000000003C5880000000000000B1F000001E00100000000C2CC19E0633F6F7481400A803277274008288292122A0019821BEEC988D6EB2C4F8FB94342A6EC61BCAE827B8D8130E20400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-N,N-diethyl-piperidine-2-carboxamide IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-N,N-diethyl-2-piperidinecarboxamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-<I>N</I>,<I>N</I>-diethylpiperidine-2-carboxamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(4-amino-6,7-dimethoxyquinazolin-2-yl)-N,N-diethylpiperidine-2-carboxamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-N,N-diethyl-piperidine-2-carboxamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 1-(4-amino-6,7-dimethoxy-quinazolin-2-yl)-N,N-diethyl-pipecolinamide InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C20H29N5O3/c1-5-24(6-2)19(26)15-9-7-8-10-25(15)20-22-14-12-17(28-4)16(27-3)11-13(14)18(21)23-20/h11-12,15H,5-10H2,1-4H3,(H2,21,22,23) InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 BZVLFFLBEOOKLA-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 2.7 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 387.22703980 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C20H29N5O3 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 387.5 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CCN(CC)C(=O)C1CCCCN1C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CCN(CC)C(=O)C1CCCCN1C2=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 93.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 387.22703980 28 1 0 1 0 0 0 0 1 -1