N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]indole-3-carboxylate;methyl 1H-indole-3-carboxylate

C68H59Cl4N9O5 — CID 158653095

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]indole-3-carboxylate;methyl 1H-indole-3-carboxylate

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]indole-3-carboxylate;methyl 1H-indole-3-carboxylate (PubChem CID 158653095) has the molecular formula C68H59Cl4N9O5 and a molecular weight of 1224.09 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]indole-3-carboxylate;methyl 1H-indole-3-carboxylate.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]indole-3-carboxylate;methyl 1H-indole-3-carboxylate
• PubChem CID: 158653095
• Molecular Formula: C68H59Cl4N9O5
• Molecular Weight: 1224.09 g/mol
• Exact Mass: 1221.34
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]indole-3-carboxylate;methyl 1H-indole-3-carboxylate
• SMILES: C.COC(=O)c1c[nH]c2ccccc12.COC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ccccc12.Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ccccc12.ClCc1ccc2ncc(Cl)cc2c1
• InChI: InChI=1S/C27H24ClN5O.C20H15ClN2O2.C10H7Cl2N.C10H9NO2.CH4/c1-16-9-26(29)32-17(2)22(16)13-31-27(34)23-15-33(25-6-4-3-5-21(23)25)14-18-7-8-24-19(10-18)11-20(28)12-30-24;1-25-20(24)17-12-23(19-5-3-2-4-16(17)19)11-13-6-7-18-14(8-13)9-15(21)10-22-18;11-5-7-1-2-10-8(3-7)4-9(12)6-13-10;1-13-10(12)8-6-11-9-5-3-2-4-7(8)9;/h3-12,15H,13-14H2,1-2H3,(H2,29,32)(H,31,34);2-10,12H,11H2,1H3;1-4,6H,5H2;2-6,11H,1H3;1H4
• InChIKey: IBUGMNZALSUEKF-UHFFFAOYSA-N
• XLogP: 16.31
• TPSA: 184.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1224.09
LogP ≤ 5	16.31
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]indole-3-carboxylate;methyl 1H-indole-3-carboxylate?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]indole-3-carboxylate;methyl 1H-indole-3-carboxylate (CID 158653095) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]indole-3-carboxylate;methyl 1H-indole-3-carboxylate.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]indole-3-carboxylate;methyl 1H-indole-3-carboxylate?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]indole-3-carboxylate;methyl 1H-indole-3-carboxylate is C.COC(=O)c1c[nH]c2ccccc12.COC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ccccc12.Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2ccccc12.ClCc1ccc2ncc(Cl)cc2c1.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]indole-3-carboxylate;methyl 1H-indole-3-carboxylate?

The InChIKey is IBUGMNZALSUEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24ClN5O.C20H15ClN2O2.C10H7Cl2N.C10H9NO2.CH4/c1-16-9-26(29)32-17(2)22(16)13-31-27(34)23-15-33(25-6-4-3-5-21(23)25)14-18-7-8-24-19(10-18)11-20(28)12-30-24;1-25-20(24)17-12-23(19-5-3-2-4-16(17)19)11-13-6-7-18-14(8-13)9-15(21)10-22-18;11-5-7-1-2-10-8(3-7)4-9(12)6-13-10;1-13-10(12)8-6-11-9-5-3-2-4-7(8)9;/h3-12,15H,13-14H2,1-2H3,(H2,29,32)(H,31,34);2-10,12H,11H2,1H3;1-4,6H,5H2;2-6,11H,1H3;1H4.

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]indole-3-carboxylate;methyl 1H-indole-3-carboxylate?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]indole-3-carboxylate;methyl 1H-indole-3-carboxylate has a molecular weight of 1224.09 g/mol, XLogP of 16.31, 10 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]indole-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;methane;methyl 1-[(3-chloroquinolin-6-yl)methyl]indole-3-carboxylate;methyl 1H-indole-3-carboxylate is sourced from PubChem (CID 158653095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).