7-[(R)-(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol

C24H23N3O2 — CID 1020375

About 7-[(R)-(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol

7-[(R)-(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol (PubChem CID 1020375) has the molecular formula C24H23N3O2 and a molecular weight of 385.47 g/mol. Its IUPAC name is 7-[(R)-(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol.

Molecular Properties

• Compound Name: 7-[(R)-(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
• PubChem CID: 1020375
• Molecular Formula: C24H23N3O2
• Molecular Weight: 385.47 g/mol
• Exact Mass: 385.18
• IUPAC Name: 7-[(R)-(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol
• SMILES: COc1cccc([C@@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)c1
• InChI: InChI=1S/C24H23N3O2/c1-15-11-12-25-21(13-15)27-22(18-5-4-6-19(14-18)29-3)20-10-9-17-8-7-16(2)26-23(17)24(20)28/h4-14,22,28H,1-3H3,(H,25,27)/t22-/m1/s1
• InChIKey: FEQPLAMQCMIQNR-JOCHJYFZSA-N
• XLogP: 5.16
• TPSA: 67.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	385.47
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[(R)-(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?

The IUPAC name of 7-[(R)-(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol (CID 1020375) is 7-[(R)-(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol.

What is the SMILES notation for 7-[(R)-(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?

The canonical SMILES for 7-[(R)-(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol is COc1cccc([C@@H](Nc2cc(C)ccn2)c2ccc3ccc(C)nc3c2O)c1.

What is the InChIKey of 7-[(R)-(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?

The InChIKey is FEQPLAMQCMIQNR-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H23N3O2/c1-15-11-12-25-21(13-15)27-22(18-5-4-6-19(14-18)29-3)20-10-9-17-8-7-16(2)26-23(17)24(20)28/h4-14,22,28H,1-3H3,(H,25,27)/t22-/m1/s1.

What are the key properties of 7-[(R)-(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol?

7-[(R)-(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol has a molecular weight of 385.47 g/mol, XLogP of 5.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(R)-(3-methoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]-2-methylquinolin-8-ol is sourced from PubChem (CID 1020375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).