N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(aminomethyl)-1-[(3-chloroquinolin-6-yl)methyl]imidazole-4-carboxamide;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-ethylimidazole-4-carboxylate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-isocyanoimidazole-4-carboxylate

C66H69Cl3N14O10 — CID 157206438

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(aminomethyl)-1-[(3-chloroquinolin-6-yl)methyl]imidazole-4-carboxamide;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-ethylimidazole-4-carboxylate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-isocyanoimidazole-4-carboxylate

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(aminomethyl)-1-[(3-chloroquinolin-6-yl)methyl]imidazole-4-carboxamide;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-ethylimidazole-4-carboxylate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-isocyanoimidazole-4-carboxylate (PubChem CID 157206438) has the molecular formula C66H69Cl3N14O10 and a molecular weight of 1324.72 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(aminomethyl)-1-[(3-chloroquinolin-6-yl)methyl]imidazole-4-carboxamide;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-ethylimidazole-4-carboxylate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-isocyanoimidazole-4-carboxylate.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(aminomethyl)-1-[(3-chloroquinolin-6-yl)methyl]imidazole-4-carboxamide;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-ethylimidazole-4-carboxylate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-isocyanoimidazole-4-carboxylate
• PubChem CID: 157206438
• Molecular Formula: C66H69Cl3N14O10
• Molecular Weight: 1324.72 g/mol
• Exact Mass: 1322.44
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(aminomethyl)-1-[(3-chloroquinolin-6-yl)methyl]imidazole-4-carboxamide;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-ethylimidazole-4-carboxylate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-isocyanoimidazole-4-carboxylate
• SMILES: CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCc1nc(C(=O)OC)cn1Cc1ccc2ncc(Cl)cc2c1.Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c(CN)n1.[C-]#[N+]c1nc(C(=O)OC)cn1Cc1ccc2ncc(Cl)cc2c1
• InChI: InChI=1S/C23H24ClN7O.C17H16ClN3O2.C16H11ClN4O2.C10H18O5/c1-13-5-21(26)29-14(2)18(13)10-28-23(32)20-12-31(22(8-25)30-20)11-15-3-4-19-16(6-15)7-17(24)9-27-19;1-3-16-20-15(17(22)23-2)10-21(16)9-11-4-5-14-12(6-11)7-13(18)8-19-14;1-18-16-20-14(15(22)23-2)9-21(16)8-10-3-4-13-11(5-10)6-12(17)7-19-13;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6/h3-7,9,12H,8,10-11,25H2,1-2H3,(H2,26,29)(H,28,32);4-8,10H,3,9H2,1-2H3;3-7,9H,8H2,2H3;1-6H3
• InChIKey: ARKITHGJWMBLOI-UHFFFAOYSA-N
• XLogP: 12.94
• TPSA: 304.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 22
• Rotatable Bonds: 13
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1324.72
LogP ≤ 5	12.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(aminomethyl)-1-[(3-chloroquinolin-6-yl)methyl]imidazole-4-carboxamide;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-ethylimidazole-4-carboxylate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-isocyanoimidazole-4-carboxylate?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(aminomethyl)-1-[(3-chloroquinolin-6-yl)methyl]imidazole-4-carboxamide;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-ethylimidazole-4-carboxylate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-isocyanoimidazole-4-carboxylate (CID 157206438) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(aminomethyl)-1-[(3-chloroquinolin-6-yl)methyl]imidazole-4-carboxamide;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-ethylimidazole-4-carboxylate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-isocyanoimidazole-4-carboxylate.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(aminomethyl)-1-[(3-chloroquinolin-6-yl)methyl]imidazole-4-carboxamide;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-ethylimidazole-4-carboxylate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-isocyanoimidazole-4-carboxylate?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(aminomethyl)-1-[(3-chloroquinolin-6-yl)methyl]imidazole-4-carboxamide;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-ethylimidazole-4-carboxylate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-isocyanoimidazole-4-carboxylate is CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCc1nc(C(=O)OC)cn1Cc1ccc2ncc(Cl)cc2c1.Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c(CN)n1.[C-]#[N+]c1nc(C(=O)OC)cn1Cc1ccc2ncc(Cl)cc2c1.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(aminomethyl)-1-[(3-chloroquinolin-6-yl)methyl]imidazole-4-carboxamide;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-ethylimidazole-4-carboxylate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-isocyanoimidazole-4-carboxylate?

The InChIKey is ARKITHGJWMBLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN7O.C17H16ClN3O2.C16H11ClN4O2.C10H18O5/c1-13-5-21(26)29-14(2)18(13)10-28-23(32)20-12-31(22(8-25)30-20)11-15-3-4-19-16(6-15)7-17(24)9-27-19;1-3-16-20-15(17(22)23-2)10-21(16)9-11-4-5-14-12(6-11)7-13(18)8-19-14;1-18-16-20-14(15(22)23-2)9-21(16)8-10-3-4-13-11(5-10)6-12(17)7-19-13;1-9(2,3)14-7(11)13-8(12)15-10(4,5)6/h3-7,9,12H,8,10-11,25H2,1-2H3,(H2,26,29)(H,28,32);4-8,10H,3,9H2,1-2H3;3-7,9H,8H2,2H3;1-6H3.

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(aminomethyl)-1-[(3-chloroquinolin-6-yl)methyl]imidazole-4-carboxamide;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-ethylimidazole-4-carboxylate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-isocyanoimidazole-4-carboxylate?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(aminomethyl)-1-[(3-chloroquinolin-6-yl)methyl]imidazole-4-carboxamide;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-ethylimidazole-4-carboxylate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-isocyanoimidazole-4-carboxylate has a molecular weight of 1324.72 g/mol, XLogP of 12.94, 13 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-2-(aminomethyl)-1-[(3-chloroquinolin-6-yl)methyl]imidazole-4-carboxamide;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-ethylimidazole-4-carboxylate;methyl 1-[(3-chloroquinolin-6-yl)methyl]-2-isocyanoimidazole-4-carboxylate is sourced from PubChem (CID 157206438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).