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

C101H141N31O22U — CID 159503864

IUPACethyl 3-[4-imino-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-1,2,4-triazole-5-carboxylate;ethyl 3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylate;methane;6-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylic acid;methyl N-[2-cyano-4-methoxy-5-(3-morpholin-4-ylpropoxy)phenyl]methanimidate;uranium
SMILESC.C.C.C.CCOC(=O)c1nc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)n[nH]1.CO/C=N/c1cc(OCCCN2CCOCC2)c(OC)cc1C#N.COc1cc2c(Nc3n[nH]c(C(=O)O)n3)ncnc2cc1OCCCN1CCOCC1.COc1cc2c(Nc3n[nH]c(C)n3)ncnc2cc1OCCCN1CCOCC1.[H]/N=c1\c2cc(OC)c(OCCCN3CCOCC3)cc2ncn1-c1n[nH]c(C(=O)OCC)n1.[U]
InChIInChI=1S/2C21H27N7O5.C19H23N7O5.C19H25N7O3.C17H23N3O4.4CH4.U/c1-3-32-20(29)19-24-21(26-25-19)28-13-23-15-12-17(16(30-2)11-14(15)18(28)22)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;1-29-14-9-12-13(10-15(14)31-6-2-3-26-4-7-30-8-5-26)20-11-21-16(12)22-19-23-17(18(27)28)24-25-19;1-13-22-19(25-24-13)23-18-14-10-16(27-2)17(11-15(14)20-12-21-18)29-7-3-4-26-5-8-28-9-6-26;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;;;;;/h11-13,22H,3-10H2,1-2H3,(H,24,25,26);11-13H,3-10H2,1-2H3,(H2,22,23,24,25,26,27);9-11H,2-8H2,1H3,(H,27,28)(H2,20,21,22,23,24,25);10-12H,3-9H2,1-2H3,(H2,20,21,22,23,24,25);10-11,13H,3-9H2,1-2H3;4*1H4;/b22-18+;;;;19-13+;;;;;
InChIKeyLZSSTYHEAXGXAE-DRDZSZLHSA-N
MW2379.46 g/mol
LogP10.41
Rot. Bonds44

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

ethyl 3-[4-imino-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-1,2,4-triazole-5-carboxylate;ethyl 3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylate;methane;6-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylic acid;methyl N-[2-cyano-4-methoxy-5-(3-morpholin-4-ylpropoxy)phenyl]methanimidate;uranium (PubChem CID 159503864) has the molecular formula C101H141N31O22U and a molecular weight of 2379.46 g/mol. Its IUPAC name is ethyl 3-[4-imino-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-1,2,4-triazole-5-carboxylate;ethyl 3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylate;methane;6-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylic acid;methyl N-[2-cyano-4-methoxy-5-(3-morpholin-4-ylpropoxy)phenyl]methanimidate;uranium.

Molecular Properties

Compound Nameethyl 3-[4-imino-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-1,2,4-triazole-5-carboxylate;ethyl 3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylate;methane;6-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylic acid;methyl N-[2-cyano-4-methoxy-5-(3-morpholin-4-ylpropoxy)phenyl]methanimidate;uranium
PubChem CID159503864
Molecular FormulaC101H141N31O22U
Molecular Weight2379.46 g/mol
Exact Mass2378.14
IUPAC Nameethyl 3-[4-imino-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-1,2,4-triazole-5-carboxylate;ethyl 3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylate;methane;6-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylic acid;methyl N-[2-cyano-4-methoxy-5-(3-morpholin-4-ylpropoxy)phenyl]methanimidate;uranium
SMILESC.C.C.C.CCOC(=O)c1nc(Nc2ncnc3cc(OCCCN4CCOCC4)c(OC)cc23)n[nH]1.CO/C=N/c1cc(OCCCN2CCOCC2)c(OC)cc1C#N.COc1cc2c(Nc3n[nH]c(C(=O)O)n3)ncnc2cc1OCCCN1CCOCC1.COc1cc2c(Nc3n[nH]c(C)n3)ncnc2cc1OCCCN1CCOCC1.[H]/N=c1\c2cc(OC)c(OCCCN3CCOCC3)cc2ncn1-c1n[nH]c(C(=O)OCC)n1.[U]
InChIInChI=1S/2C21H27N7O5.C19H23N7O5.C19H25N7O3.C17H23N3O4.4CH4.U/c1-3-32-20(29)19-24-21(26-25-19)28-13-23-15-12-17(16(30-2)11-14(15)18(28)22)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;1-29-14-9-12-13(10-15(14)31-6-2-3-26-4-7-30-8-5-26)20-11-21-16(12)22-19-23-17(18(27)28)24-25-19;1-13-22-19(25-24-13)23-18-14-10-16(27-2)17(11-15(14)20-12-21-18)29-7-3-4-26-5-8-28-9-6-26;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;;;;;/h11-13,22H,3-10H2,1-2H3,(H,24,25,26);11-13H,3-10H2,1-2H3,(H2,22,23,24,25,26,27);9-11H,2-8H2,1H3,(H,27,28)(H2,20,21,22,23,24,25);10-12H,3-9H2,1-2H3,(H2,20,21,22,23,24,25);10-11,13H,3-9H2,1-2H3;4*1H4;/b22-18+;;;;19-13+;;;;;
InChIKeyLZSSTYHEAXGXAE-DRDZSZLHSA-N
XLogP10.41
TPSA611.31 Ų
H-Bond Donors9
H-Bond Acceptors48
Rotatable Bonds44
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002379.46
LogP ≤ 510.41
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1048

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 3-[4-imino-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-1,2,4-triazole-5-carboxylate;ethyl 3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylate;methane;6-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylic acid;methyl N-[2-cyano-4-methoxy-5-(3-morpholin-4-ylpropoxy)phenyl]methanimidate;uranium with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-imino-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-1,2,4-triazole-5-carboxylate;ethyl 3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylate;methane;6-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylic acid;methyl N-[2-cyano-4-methoxy-5-(3-morpholin-4-ylpropoxy)phenyl]methanimidate;uranium?
The IUPAC name of ethyl 3-[4-imino-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-1,2,4-triazole-5-carboxylate;ethyl 3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylate;methane;6-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylic acid;methyl N-[2-cyano-4-methoxy-5-(3-morpholin-4-ylpropoxy)phenyl]methanimidate;uranium (CID 159503864) is ethyl 3-[4-imino-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-1,2,4-triazole-5-carboxylate;ethyl 3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylate;methane;6-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylic acid;methyl N-[2-cyano-4-methoxy-5-(3-morpholin-4-ylpropoxy)phenyl]methanimidate;uranium.
What is the SMILES notation for ethyl 3-[4-imino-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-1,2,4-triazole-5-carboxylate;ethyl 3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylate;methane;6-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylic acid;methyl N-[2-cyano-4-methoxy-5-(3-morpholin-4-ylpropoxy)phenyl]methanimidate;uranium?
The canonical SMILES for ethyl 3-[4-imino-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-1,2,4-triazole-5-carboxylate;ethyl 3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylate;methane;6-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylic acid;methyl N-[2-cyano-4-methoxy-5-(3-morpholin-4-ylpropoxy)phenyl]methanimidate;uranium is 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(Nc3n[nH]c(C(=O)O)n3)ncnc2cc1OCCCN1CCOCC1.COc1cc2c(Nc3n[nH]c(C)n3)ncnc2cc1OCCCN1CCOCC1.[H]/N=c1\c2cc(OC)c(OCCCN3CCOCC3)cc2ncn1-c1n[nH]c(C(=O)OCC)n1.[U].
What is the InChIKey of ethyl 3-[4-imino-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-1,2,4-triazole-5-carboxylate;ethyl 3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylate;methane;6-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylic acid;methyl N-[2-cyano-4-methoxy-5-(3-morpholin-4-ylpropoxy)phenyl]methanimidate;uranium?
The InChIKey is LZSSTYHEAXGXAE-DRDZSZLHSA-N. The full InChI is InChI=1S/2C21H27N7O5.C19H23N7O5.C19H25N7O3.C17H23N3O4.4CH4.U/c1-3-32-20(29)19-24-21(26-25-19)28-13-23-15-12-17(16(30-2)11-14(15)18(28)22)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;1-29-14-9-12-13(10-15(14)31-6-2-3-26-4-7-30-8-5-26)20-11-21-16(12)22-19-23-17(18(27)28)24-25-19;1-13-22-19(25-24-13)23-18-14-10-16(27-2)17(11-15(14)20-12-21-18)29-7-3-4-26-5-8-28-9-6-26;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;;;;;/h11-13,22H,3-10H2,1-2H3,(H,24,25,26);11-13H,3-10H2,1-2H3,(H2,22,23,24,25,26,27);9-11H,2-8H2,1H3,(H,27,28)(H2,20,21,22,23,24,25);10-12H,3-9H2,1-2H3,(H2,20,21,22,23,24,25);10-11,13H,3-9H2,1-2H3;4*1H4;/b22-18+;;;;19-13+;;;;;.
What are the key properties of ethyl 3-[4-imino-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-1,2,4-triazole-5-carboxylate;ethyl 3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylate;methane;6-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylic acid;methyl N-[2-cyano-4-methoxy-5-(3-morpholin-4-ylpropoxy)phenyl]methanimidate;uranium?
ethyl 3-[4-imino-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-1,2,4-triazole-5-carboxylate;ethyl 3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylate;methane;6-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylic acid;methyl N-[2-cyano-4-methoxy-5-(3-morpholin-4-ylpropoxy)phenyl]methanimidate;uranium has a molecular weight of 2379.46 g/mol, XLogP of 10.41, 44 rotatable bonds, 9 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-imino-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-3-yl]-1H-1,2,4-triazole-5-carboxylate;ethyl 3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylate;methane;6-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine;3-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1H-1,2,4-triazole-5-carboxylic acid;methyl N-[2-cyano-4-methoxy-5-(3-morpholin-4-ylpropoxy)phenyl]methanimidate;uranium is sourced from PubChem (CID 159503864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).