N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[2,3-c]pyridin-1-yl)methyl]quinoline;3-iodo-1H-pyrrolo[2,3-c]pyridine

C60H46Cl4I2N12O — CID 157412656

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[2,3-c]pyridin-1-yl)methyl]quinoline;3-iodo-1H-pyrrolo[2,3-c]pyridine

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[2,3-c]pyridin-1-yl)methyl]quinoline;3-iodo-1H-pyrrolo[2,3-c]pyridine (PubChem CID 157412656) has the molecular formula C60H46Cl4I2N12O and a molecular weight of 1346.73 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[2,3-c]pyridin-1-yl)methyl]quinoline;3-iodo-1H-pyrrolo[2,3-c]pyridine.

Molecular Properties

• Compound Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[2,3-c]pyridin-1-yl)methyl]quinoline;3-iodo-1H-pyrrolo[2,3-c]pyridine
• PubChem CID: 157412656
• Molecular Formula: C60H46Cl4I2N12O
• Molecular Weight: 1346.73 g/mol
• Exact Mass: 1344.08
• IUPAC Name: N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[2,3-c]pyridin-1-yl)methyl]quinoline;3-iodo-1H-pyrrolo[2,3-c]pyridine
• SMILES: Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2cnccc12.ClCc1ccc2ncc(Cl)cc2c1.Clc1cnc2ccc(Cn3cc(I)c4ccncc43)cc2c1.Ic1c[nH]c2cnccc12
• InChI: InChI=1S/C26H23ClN6O.C17H11ClIN3.C10H7Cl2N.C7H5IN2/c1-15-7-25(28)32-16(2)21(15)11-31-26(34)22-14-33(24-12-29-6-5-20(22)24)13-17-3-4-23-18(8-17)9-19(27)10-30-23;18-13-6-12-5-11(1-2-16(12)21-7-13)9-22-10-15(19)14-3-4-20-8-17(14)22;11-5-7-1-2-10-8(3-7)4-9(12)6-13-10;8-6-3-10-7-4-9-2-1-5(6)7/h3-10,12,14H,11,13H2,1-2H3,(H2,28,32)(H,31,34);1-8,10H,9H2;1-4,6H,5H2;1-4,10H
• InChIKey: BOLSWDVVJDXGBV-UHFFFAOYSA-N
• XLogP: 15.50
• TPSA: 171.00 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1346.73
LogP ≤ 5	15.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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]pyrrolo[2,3-c]pyridine-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[2,3-c]pyridin-1-yl)methyl]quinoline;3-iodo-1H-pyrrolo[2,3-c]pyridine?

The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[2,3-c]pyridin-1-yl)methyl]quinoline;3-iodo-1H-pyrrolo[2,3-c]pyridine (CID 157412656) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[2,3-c]pyridin-1-yl)methyl]quinoline;3-iodo-1H-pyrrolo[2,3-c]pyridine.

What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[2,3-c]pyridin-1-yl)methyl]quinoline;3-iodo-1H-pyrrolo[2,3-c]pyridine?

The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[2,3-c]pyridin-1-yl)methyl]quinoline;3-iodo-1H-pyrrolo[2,3-c]pyridine is Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc3ncc(Cl)cc3c2)c2cnccc12.ClCc1ccc2ncc(Cl)cc2c1.Clc1cnc2ccc(Cn3cc(I)c4ccncc43)cc2c1.Ic1c[nH]c2cnccc12.

What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[2,3-c]pyridin-1-yl)methyl]quinoline;3-iodo-1H-pyrrolo[2,3-c]pyridine?

The InChIKey is BOLSWDVVJDXGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN6O.C17H11ClIN3.C10H7Cl2N.C7H5IN2/c1-15-7-25(28)32-16(2)21(15)11-31-26(34)22-14-33(24-12-29-6-5-20(22)24)13-17-3-4-23-18(8-17)9-19(27)10-30-23;18-13-6-12-5-11(1-2-16(12)21-7-13)9-22-10-15(19)14-3-4-20-8-17(14)22;11-5-7-1-2-10-8(3-7)4-9(12)6-13-10;8-6-3-10-7-4-9-2-1-5(6)7/h3-10,12,14H,11,13H2,1-2H3,(H2,28,32)(H,31,34);1-8,10H,9H2;1-4,6H,5H2;1-4,10H.

What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[2,3-c]pyridin-1-yl)methyl]quinoline;3-iodo-1H-pyrrolo[2,3-c]pyridine?

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(3-chloroquinolin-6-yl)methyl]pyrrolo[2,3-c]pyridine-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[2,3-c]pyridin-1-yl)methyl]quinoline;3-iodo-1H-pyrrolo[2,3-c]pyridine has a molecular weight of 1346.73 g/mol, XLogP of 15.50, 8 rotatable bonds, 3 hydrogen bond donors, and 11 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]pyrrolo[2,3-c]pyridine-3-carboxamide;3-chloro-6-(chloromethyl)quinoline;3-chloro-6-[(3-iodopyrrolo[2,3-c]pyridin-1-yl)methyl]quinoline;3-iodo-1H-pyrrolo[2,3-c]pyridine is sourced from PubChem (CID 157412656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).