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

C34H32Cl2N6O2 — CID 91422597

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

3,5-dichloro-N-[[3-[[[1H-imidazol-2-yl-(3-methoxyphenyl)methyl]-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide (PubChem CID 91422597) has the molecular formula C34H32Cl2N6O2 and a molecular weight of 627.58 g/mol. Its IUPAC name is 3,5-dichloro-N-[[3-[[[1H-imidazol-2-yl-(3-methoxyphenyl)methyl]-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 3,5-dichloro-N-[[3-[[[1H-imidazol-2-yl-(3-methoxyphenyl)methyl]-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide
• PubChem CID: 91422597
• Molecular Formula: C34H32Cl2N6O2
• Molecular Weight: 627.58 g/mol
• Exact Mass: 626.20
• IUPAC Name: 3,5-dichloro-N-[[3-[[[1H-imidazol-2-yl-(3-methoxyphenyl)methyl]-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide
• SMILES: COc1cccc(C(c2ncc[nH]2)N(Cc2cccc(CNC(=O)c3c(Cl)cncc3Cl)c2)C2CCCc3cccnc32)c1
• InChI: InChI=1S/C34H32Cl2N6O2/c1-44-26-11-3-9-25(17-26)32(33-39-14-15-40-33)42(29-12-4-8-24-10-5-13-38-31(24)29)21-23-7-2-6-22(16-23)18-41-34(43)30-27(35)19-37-20-28(30)36/h2-3,5-7,9-11,13-17,19-20,29,32H,4,8,12,18,21H2,1H3,(H,39,40)(H,41,43)
• InChIKey: TXEFWWGVFCZUPU-UHFFFAOYSA-N
• XLogP: 7.11
• TPSA: 96.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	627.58
LogP ≤ 5	7.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3,5-dichloro-N-[[3-[[[1H-imidazol-2-yl-(3-methoxyphenyl)methyl]-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide (CID 91422597) is 3,5-dichloro-N-[[3-[[[1H-imidazol-2-yl-(3-methoxyphenyl)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-[[3-[[[1H-imidazol-2-yl-(3-methoxyphenyl)methyl]-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide?

The canonical SMILES for 3,5-dichloro-N-[[3-[[[1H-imidazol-2-yl-(3-methoxyphenyl)methyl]-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide is COc1cccc(C(c2ncc[nH]2)N(Cc2cccc(CNC(=O)c3c(Cl)cncc3Cl)c2)C2CCCc3cccnc32)c1.

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

The InChIKey is TXEFWWGVFCZUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32Cl2N6O2/c1-44-26-11-3-9-25(17-26)32(33-39-14-15-40-33)42(29-12-4-8-24-10-5-13-38-31(24)29)21-23-7-2-6-22(16-23)18-41-34(43)30-27(35)19-37-20-28(30)36/h2-3,5-7,9-11,13-17,19-20,29,32H,4,8,12,18,21H2,1H3,(H,39,40)(H,41,43).

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

3,5-dichloro-N-[[3-[[[1H-imidazol-2-yl-(3-methoxyphenyl)methyl]-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 627.58 g/mol, XLogP of 7.11, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dichloro-N-[[3-[[[1H-imidazol-2-yl-(3-methoxyphenyl)methyl]-(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 91422597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).