3,5-dichloro-N-[[4-[[(2,5-dimethyl-1H-imidazol-4-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide

C29H30Cl2N6O — CID 10280786

About 3,5-dichloro-N-[[4-[[(2,5-dimethyl-1H-imidazol-4-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide

3,5-dichloro-N-[[4-[[(2,5-dimethyl-1H-imidazol-4-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide (PubChem CID 10280786) has the molecular formula C29H30Cl2N6O and a molecular weight of 549.51 g/mol. Its IUPAC name is 3,5-dichloro-N-[[4-[[(2,5-dimethyl-1H-imidazol-4-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 3,5-dichloro-N-[[4-[[(2,5-dimethyl-1H-imidazol-4-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide
• PubChem CID: 10280786
• Molecular Formula: C29H30Cl2N6O
• Molecular Weight: 549.51 g/mol
• Exact Mass: 548.19
• IUPAC Name: 3,5-dichloro-N-[[4-[[(2,5-dimethyl-1H-imidazol-4-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide
• SMILES: Cc1nc(CN(Cc2ccc(CNC(=O)c3c(Cl)cncc3Cl)cc2)C2CCCc3cccnc32)c(C)[nH]1
• InChI: InChI=1S/C29H30Cl2N6O/c1-18-25(36-19(2)35-18)17-37(26-7-3-5-22-6-4-12-33-28(22)26)16-21-10-8-20(9-11-21)13-34-29(38)27-23(30)14-32-15-24(27)31/h4,6,8-12,14-15,26H,3,5,7,13,16-17H2,1-2H3,(H,34,38)(H,35,36)
• InChIKey: LFXCHLWXJOLTQU-UHFFFAOYSA-N
• XLogP: 6.13
• TPSA: 86.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.51
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[[4-[[(2,5-dimethyl-1H-imidazol-4-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide?

The IUPAC name of 3,5-dichloro-N-[[4-[[(2,5-dimethyl-1H-imidazol-4-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide (CID 10280786) is 3,5-dichloro-N-[[4-[[(2,5-dimethyl-1H-imidazol-4-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide.

What is the SMILES notation for 3,5-dichloro-N-[[4-[[(2,5-dimethyl-1H-imidazol-4-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide?

The canonical SMILES for 3,5-dichloro-N-[[4-[[(2,5-dimethyl-1H-imidazol-4-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide is Cc1nc(CN(Cc2ccc(CNC(=O)c3c(Cl)cncc3Cl)cc2)C2CCCc3cccnc32)c(C)[nH]1.

What is the InChIKey of 3,5-dichloro-N-[[4-[[(2,5-dimethyl-1H-imidazol-4-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide?

The InChIKey is LFXCHLWXJOLTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30Cl2N6O/c1-18-25(36-19(2)35-18)17-37(26-7-3-5-22-6-4-12-33-28(22)26)16-21-10-8-20(9-11-21)13-34-29(38)27-23(30)14-32-15-24(27)31/h4,6,8-12,14-15,26H,3,5,7,13,16-17H2,1-2H3,(H,34,38)(H,35,36).

What are the key properties of 3,5-dichloro-N-[[4-[[(2,5-dimethyl-1H-imidazol-4-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide?

3,5-dichloro-N-[[4-[[(2,5-dimethyl-1H-imidazol-4-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 549.51 g/mol, XLogP of 6.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dichloro-N-[[4-[[(2,5-dimethyl-1H-imidazol-4-yl)methyl-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 10280786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).