N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

C34H36N6O — CID 22018564

About N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (PubChem CID 22018564) has the molecular formula C34H36N6O and a molecular weight of 544.70 g/mol. Its IUPAC name is N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

Molecular Properties

• Compound Name: N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
• PubChem CID: 22018564
• Molecular Formula: C34H36N6O
• Molecular Weight: 544.70 g/mol
• Exact Mass: 544.30
• IUPAC Name: N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
• SMILES: COc1ccc(-c2cnc(CN(Cc3ccc(CNCc4ccccn4)cc3)C3CCCc4cccnc43)[nH]2)cc1
• InChI: InChI=1S/C34H36N6O/c1-41-30-16-14-27(15-17-30)31-22-38-33(39-31)24-40(32-9-4-6-28-7-5-19-37-34(28)32)23-26-12-10-25(11-13-26)20-35-21-29-8-2-3-18-36-29/h2-3,5,7-8,10-19,22,32,35H,4,6,9,20-21,23-24H2,1H3,(H,38,39)
• InChIKey: LSTZYPLCQLTHDE-UHFFFAOYSA-N
• XLogP: 6.24
• TPSA: 78.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.70
LogP ≤ 5	6.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

The IUPAC name of N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine (CID 22018564) is N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine.

What is the SMILES notation for N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

The canonical SMILES for N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is COc1ccc(-c2cnc(CN(Cc3ccc(CNCc4ccccn4)cc3)C3CCCc4cccnc43)[nH]2)cc1.

What is the InChIKey of N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

The InChIKey is LSTZYPLCQLTHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N6O/c1-41-30-16-14-27(15-17-30)31-22-38-33(39-31)24-40(32-9-4-6-28-7-5-19-37-34(28)32)23-26-12-10-25(11-13-26)20-35-21-29-8-2-3-18-36-29/h2-3,5,7-8,10-19,22,32,35H,4,6,9,20-21,23-24H2,1H3,(H,38,39).

What are the key properties of N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine?

N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine has a molecular weight of 544.70 g/mol, XLogP of 6.24, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[5-(4-methoxyphenyl)-1H-imidazol-2-yl]methyl]-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine is sourced from PubChem (CID 22018564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).