71764 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 17 8 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 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 4 4 5 5 6 6 6 7 7 7 8 8 9 9 10 10 10 11 11 11 12 12 12 13 13 13 14 14 16 16 16 17 17 17 18 18 20 20 20 21 21 21 22 24 24 25 25 26 28 28 28 29 29 29 57 11 14 15 26 28 27 29 15 16 41 18 19 20 19 22 19 23 23 49 50 12 15 30 13 31 32 14 33 34 35 36 17 37 38 18 39 40 42 43 44 45 46 22 23 24 25 26 47 27 48 27 51 52 53 54 55 56 1 1 1 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 1 1 1 2 2 1 1 1 1 2 1 1 1 1 1 1 11 2 12 15 30 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 6.4743 11.9689 10.9984 1.4061 1.4061 10.1324 6.6682 4.9362 5.8022 4.9362 11.8644 12.7779 13.4471 12.9471 10.9984 9.2663 8.4003 7.5343 5.8022 6.6682 4.0702 4.0702 4.9362 3.1762 3.1762 2.2702 2.2702 0.5381 1.4099 11.3444 12.4679 13.2795 13.8619 13.9487 13.5135 12.7555 8.8678 9.6648 8.7988 8.0018 10.1324 7.1358 7.9328 7.2882 6.6682 6.0482 3.1834 3.1834 5.4731 4.3993 0.8461 0 0.2302 2.0299 1.4123 0.7899 7.4743 0 6.8219 4.3274 3.8032 5.8515 5.8274 5.8274 5.8274 4.3274 2.8274 5.8274 5.4206 6.1638 7.0298 5.3274 5.3274 5.8274 5.3274 5.3274 6.8274 4.3274 5.3274 3.8274 3.7927 5.862 4.3065 5.3482 4.2998 6.8515 6.165 4.8837 5.0562 5.703 6.5282 7.282 7.6194 4.8524 4.8524 6.3023 6.3023 6.4474 4.8524 4.8524 6.8274 7.4474 6.8274 3.1727 6.482 2.5174 2.5174 4.838 4.6078 3.7617 6.8491 7.4715 6.8539 0 8 8 8 8 3 8 8 8 8 8 8 8 8 8 9 9 11 21 21 21 22 24 25 26 19 22 19 23 15 22 23 24 25 26 27 27 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 511 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 8 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 3 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 8 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371E07BB8000400000000000000000000000001200000003C4000000000000000B1F000001E00100000000C1CE19E0633F6F7C81400A803277274028288292122A00198A17EEC988F2EB2C4F8DF87342A6ED61BDAE827B8D4130E20400102000240004080020400048000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-[(4-amino-6,7-dimethoxy-quinazolin-2-yl)-methyl-amino]propyl]tetrahydrofuran-2-carboxamide;hydrochloride IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-[(4-amino-6,7-dimethoxy-2-quinazolinyl)-methylamino]propyl]-2-oxolanecarboxamide;hydrochloride IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 <I>N</I>-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;hydrochloride IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;hydrochloride IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-[(4-azanyl-6,7-dimethoxy-quinazolin-2-yl)-methyl-amino]propyl]oxolane-2-carboxamide;hydrochloride IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 N-[3-[(4-amino-6,7-dimethoxy-quinazolin-2-yl)-methyl-amino]propyl]tetrahydrofuran-2-carboxamide;hydrochloride InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C19H27N5O4.ClH/c1-24(8-5-7-21-18(25)14-6-4-9-28-14)19-22-13-11-16(27-3)15(26-2)10-12(13)17(20)23-19;/h10-11,14H,4-9H2,1-3H3,(H,21,25)(H2,20,22,23);1H InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 YTNKWDJILNVLGX-UHFFFAOYSA-N Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 425.1829821 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C19H28ClN5O4 Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 425.9 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(CCCNC(=O)C1CCCO1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC.Cl SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CN(CCCNC(=O)C1CCCO1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC.Cl Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 112 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 425.1829821 29 1 0 1 0 0 0 0 2 -1