ethyl 2-[4-imino-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-imidazole-5-carboxylate;ethyl 3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylate;N-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)-1,4-dihydroquinazolin-4-amine;3-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-imine;methane;methyl N-[2-cyano-4-methoxy-5-(3-morpholin-4-ylpropoxy)phenyl]methanimidate

C103H148N28O20 — CID 161174782

IUPACethyl 2-[4-imino-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-imidazole-5-carboxylate;ethyl 3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylate;N-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)-1,4-dihydroquinazolin-4-amine;3-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-imine;methane;methyl N-[2-cyano-4-methoxy-5-(3-morpholin-4-ylpropoxy)phenyl]methanimidate
SMILESC.C.C.C.C.CCOC(=O)c1nc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)n[nH]1.CO/C=N/c1cc(OCCCN2CCOCC2)c(OC)cc1C#N.COc1cc2c(cc1OCCCN1CCOCC1)NC=NC2Nc1ncc[nH]1.[H]/N=c1\c2cc(OC)c(OCCCN3CCOCC3)cc2ncn1-c1ncc(C(=O)OCC)[nH]1.[H]/N=c1\c2cc(OC)c(OCCCN3CCOCC3)cc2ncn1-c1ncc[nH]1
InChIInChI=1S/C22H28N6O5.C21H27N7O5.C19H24N6O3.C19H26N6O3.C17H23N3O4.5CH4/c1-3-32-21(29)17-13-24-22(26-17)28-14-25-16-12-19(18(30-2)11-15(16)20(28)23)33-8-4-5-27-6-9-31-10-7-27;1-3-32-20(29)19-25-21(27-26-19)24-18-14-11-16(30-2)17(12-15(14)22-13-23-18)33-8-4-5-28-6-9-31-10-7-28;1-26-16-11-14-15(23-13-25(18(14)20)19-21-3-4-22-19)12-17(16)28-8-2-5-24-6-9-27-10-7-24;1-26-16-11-14-15(22-13-23-18(14)24-19-20-3-4-21-19)12-17(16)28-8-2-5-25-6-9-27-10-7-25;1-21-13-19-15-11-17(16(22-2)10-14(15)12-18)24-7-3-4-20-5-8-23-9-6-20;;;;;/h11-14,23H,3-10H2,1-2H3,(H,24,26);11-13H,3-10H2,1-2H3,(H2,22,23,24,25,26,27);3-4,11-13,20H,2,5-10H2,1H3,(H,21,22);3-4,11-13,18H,2,5-10H2,1H3,(H,22,23)(H2,20,21,24);10-11,13H,3-9H2,1-2H3;5*1H4/b23-20+;;20-18+;;19-13+;;;;;
InChIKeyURQRNJLDCQZYCE-QCMFYRNUSA-N
MW2098.49 g/mol
LogP11.87
Rot. Bonds42

About ethyl 2-[4-imino-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-imidazole-5-carboxylate;ethyl 3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylate;N-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)-1,4-dihydroquinazolin-4-amine;3-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-imine;methane;methyl N-[2-cyano-4-methoxy-5-(3-morpholin-4-ylpropoxy)phenyl]methanimidate

ethyl 2-[4-imino-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-imidazole-5-carboxylate;ethyl 3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylate;N-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)-1,4-dihydroquinazolin-4-amine;3-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-imine;methane;methyl N-[2-cyano-4-methoxy-5-(3-morpholin-4-ylpropoxy)phenyl]methanimidate (PubChem CID 161174782) has the molecular formula C103H148N28O20 and a molecular weight of 2098.49 g/mol. Its IUPAC name is ethyl 2-[4-imino-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-imidazole-5-carboxylate;ethyl 3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylate;N-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)-1,4-dihydroquinazolin-4-amine;3-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-imine;methane;methyl N-[2-cyano-4-methoxy-5-(3-morpholin-4-ylpropoxy)phenyl]methanimidate.

Molecular Properties

Compound Nameethyl 2-[4-imino-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-imidazole-5-carboxylate;ethyl 3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylate;N-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)-1,4-dihydroquinazolin-4-amine;3-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-imine;methane;methyl N-[2-cyano-4-methoxy-5-(3-morpholin-4-ylpropoxy)phenyl]methanimidate
PubChem CID161174782
Molecular FormulaC103H148N28O20
Molecular Weight2098.49 g/mol
Exact Mass2097.14
IUPAC Nameethyl 2-[4-imino-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-imidazole-5-carboxylate;ethyl 3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylate;N-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)-1,4-dihydroquinazolin-4-amine;3-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-imine;methane;methyl N-[2-cyano-4-methoxy-5-(3-morpholin-4-ylpropoxy)phenyl]methanimidate
SMILESC.C.C.C.C.CCOC(=O)c1nc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)n[nH]1.CO/C=N/c1cc(OCCCN2CCOCC2)c(OC)cc1C#N.COc1cc2c(cc1OCCCN1CCOCC1)NC=NC2Nc1ncc[nH]1.[H]/N=c1\c2cc(OC)c(OCCCN3CCOCC3)cc2ncn1-c1ncc(C(=O)OCC)[nH]1.[H]/N=c1\c2cc(OC)c(OCCCN3CCOCC3)cc2ncn1-c1ncc[nH]1
InChIInChI=1S/C22H28N6O5.C21H27N7O5.C19H24N6O3.C19H26N6O3.C17H23N3O4.5CH4/c1-3-32-21(29)17-13-24-22(26-17)28-14-25-16-12-19(18(30-2)11-15(16)20(28)23)33-8-4-5-27-6-9-31-10-7-27;1-3-32-20(29)19-25-21(27-26-19)24-18-14-11-16(30-2)17(12-15(14)22-13-23-18)33-8-4-5-28-6-9-31-10-7-28;1-26-16-11-14-15(23-13-25(18(14)20)19-21-3-4-22-19)12-17(16)28-8-2-5-24-6-9-27-10-7-24;1-26-16-11-14-15(22-13-23-18(14)24-19-20-3-4-21-19)12-17(16)28-8-2-5-25-6-9-27-10-7-25;1-21-13-19-15-11-17(16(22-2)10-14(15)12-18)24-7-3-4-20-5-8-23-9-6-20;;;;;/h11-14,23H,3-10H2,1-2H3,(H,24,26);11-13H,3-10H2,1-2H3,(H2,22,23,24,25,26,27);3-4,11-13,20H,2,5-10H2,1H3,(H,21,22);3-4,11-13,18H,2,5-10H2,1H3,(H,22,23)(H2,20,21,24);10-11,13H,3-9H2,1-2H3;5*1H4/b23-20+;;20-18+;;19-13+;;;;;
InChIKeyURQRNJLDCQZYCE-QCMFYRNUSA-N
XLogP11.87
TPSA537.81 Ų
H-Bond Donors9
H-Bond Acceptors44
Rotatable Bonds42
Heavy Atoms151
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002098.49
LogP ≤ 511.87
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze ethyl 2-[4-imino-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-imidazole-5-carboxylate;ethyl 3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylate;N-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)-1,4-dihydroquinazolin-4-amine;3-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-imine;methane;methyl N-[2-cyano-4-methoxy-5-(3-morpholin-4-ylpropoxy)phenyl]methanimidate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-imino-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-imidazole-5-carboxylate;ethyl 3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylate;N-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)-1,4-dihydroquinazolin-4-amine;3-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-imine;methane;methyl N-[2-cyano-4-methoxy-5-(3-morpholin-4-ylpropoxy)phenyl]methanimidate?
The IUPAC name of ethyl 2-[4-imino-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-imidazole-5-carboxylate;ethyl 3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylate;N-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)-1,4-dihydroquinazolin-4-amine;3-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-imine;methane;methyl N-[2-cyano-4-methoxy-5-(3-morpholin-4-ylpropoxy)phenyl]methanimidate (CID 161174782) is ethyl 2-[4-imino-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-imidazole-5-carboxylate;ethyl 3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylate;N-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)-1,4-dihydroquinazolin-4-amine;3-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-imine;methane;methyl N-[2-cyano-4-methoxy-5-(3-morpholin-4-ylpropoxy)phenyl]methanimidate.
What is the SMILES notation for ethyl 2-[4-imino-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-imidazole-5-carboxylate;ethyl 3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylate;N-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)-1,4-dihydroquinazolin-4-amine;3-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-imine;methane;methyl N-[2-cyano-4-methoxy-5-(3-morpholin-4-ylpropoxy)phenyl]methanimidate?
The canonical SMILES for ethyl 2-[4-imino-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-imidazole-5-carboxylate;ethyl 3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylate;N-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)-1,4-dihydroquinazolin-4-amine;3-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-imine;methane;methyl N-[2-cyano-4-methoxy-5-(3-morpholin-4-ylpropoxy)phenyl]methanimidate is C.C.C.C.C.CCOC(=O)c1nc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)n[nH]1.CO/C=N/c1cc(OCCCN2CCOCC2)c(OC)cc1C#N.COc1cc2c(cc1OCCCN1CCOCC1)NC=NC2Nc1ncc[nH]1.[H]/N=c1\c2cc(OC)c(OCCCN3CCOCC3)cc2ncn1-c1ncc(C(=O)OCC)[nH]1.[H]/N=c1\c2cc(OC)c(OCCCN3CCOCC3)cc2ncn1-c1ncc[nH]1.
What is the InChIKey of ethyl 2-[4-imino-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-imidazole-5-carboxylate;ethyl 3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylate;N-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)-1,4-dihydroquinazolin-4-amine;3-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-imine;methane;methyl N-[2-cyano-4-methoxy-5-(3-morpholin-4-ylpropoxy)phenyl]methanimidate?
The InChIKey is URQRNJLDCQZYCE-QCMFYRNUSA-N. The full InChI is InChI=1S/C22H28N6O5.C21H27N7O5.C19H24N6O3.C19H26N6O3.C17H23N3O4.5CH4/c1-3-32-21(29)17-13-24-22(26-17)28-14-25-16-12-19(18(30-2)11-15(16)20(28)23)33-8-4-5-27-6-9-31-10-7-27;1-3-32-20(29)19-25-21(27-26-19)24-18-14-11-16(30-2)17(12-15(14)22-13-23-18)33-8-4-5-28-6-9-31-10-7-28;1-26-16-11-14-15(23-13-25(18(14)20)19-21-3-4-22-19)12-17(16)28-8-2-5-24-6-9-27-10-7-24;1-26-16-11-14-15(22-13-23-18(14)24-19-20-3-4-21-19)12-17(16)28-8-2-5-25-6-9-27-10-7-25;1-21-13-19-15-11-17(16(22-2)10-14(15)12-18)24-7-3-4-20-5-8-23-9-6-20;;;;;/h11-14,23H,3-10H2,1-2H3,(H,24,26);11-13H,3-10H2,1-2H3,(H2,22,23,24,25,26,27);3-4,11-13,20H,2,5-10H2,1H3,(H,21,22);3-4,11-13,18H,2,5-10H2,1H3,(H,22,23)(H2,20,21,24);10-11,13H,3-9H2,1-2H3;5*1H4/b23-20+;;20-18+;;19-13+;;;;;.
What are the key properties of ethyl 2-[4-imino-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-imidazole-5-carboxylate;ethyl 3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylate;N-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)-1,4-dihydroquinazolin-4-amine;3-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-imine;methane;methyl N-[2-cyano-4-methoxy-5-(3-morpholin-4-ylpropoxy)phenyl]methanimidate?
ethyl 2-[4-imino-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-imidazole-5-carboxylate;ethyl 3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylate;N-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)-1,4-dihydroquinazolin-4-amine;3-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-imine;methane;methyl N-[2-cyano-4-methoxy-5-(3-morpholin-4-ylpropoxy)phenyl]methanimidate has a molecular weight of 2098.49 g/mol, XLogP of 11.87, 42 rotatable bonds, 9 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-imino-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-imidazole-5-carboxylate;ethyl 3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylate;N-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)-1,4-dihydroquinazolin-4-amine;3-(1H-imidazol-2-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-imine;methane;methyl N-[2-cyano-4-methoxy-5-(3-morpholin-4-ylpropoxy)phenyl]methanimidate is sourced from PubChem (CID 161174782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).