7-[(R)-(3-chloro-4,5-diethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol

C26H26ClN3O3 — CID 2221476

About 7-[(R)-(3-chloro-4,5-diethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol

7-[(R)-(3-chloro-4,5-diethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol (PubChem CID 2221476) has the molecular formula C26H26ClN3O3 and a molecular weight of 463.97 g/mol. Its IUPAC name is 7-[(R)-(3-chloro-4,5-diethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol.

Molecular Properties

• Compound Name: 7-[(R)-(3-chloro-4,5-diethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
• PubChem CID: 2221476
• Molecular Formula: C26H26ClN3O3
• Molecular Weight: 463.97 g/mol
• Exact Mass: 463.17
• IUPAC Name: 7-[(R)-(3-chloro-4,5-diethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
• SMILES: CCOc1cc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc(Cl)c1OCC
• InChI: InChI=1S/C26H26ClN3O3/c1-4-32-21-15-18(14-20(27)26(21)33-5-2)23(30-22-13-16(3)10-12-28-22)19-9-8-17-7-6-11-29-24(17)25(19)31/h6-15,23,31H,4-5H2,1-3H3,(H,28,30)/t23-/m1/s1
• InChIKey: QLIQUSKEWKIJDK-HSZRJFAPSA-N
• XLogP: 6.30
• TPSA: 76.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.97
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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-chloro-4,5-diethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?

The IUPAC name of 7-[(R)-(3-chloro-4,5-diethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol (CID 2221476) is 7-[(R)-(3-chloro-4,5-diethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol.

What is the SMILES notation for 7-[(R)-(3-chloro-4,5-diethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?

The canonical SMILES for 7-[(R)-(3-chloro-4,5-diethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol is CCOc1cc([C@@H](Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc(Cl)c1OCC.

What is the InChIKey of 7-[(R)-(3-chloro-4,5-diethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?

The InChIKey is QLIQUSKEWKIJDK-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H26ClN3O3/c1-4-32-21-15-18(14-20(27)26(21)33-5-2)23(30-22-13-16(3)10-12-28-22)19-9-8-17-7-6-11-29-24(17)25(19)31/h6-15,23,31H,4-5H2,1-3H3,(H,28,30)/t23-/m1/s1.

What are the key properties of 7-[(R)-(3-chloro-4,5-diethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?

7-[(R)-(3-chloro-4,5-diethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol has a molecular weight of 463.97 g/mol, XLogP of 6.30, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(R)-(3-chloro-4,5-diethoxyphenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol is sourced from PubChem (CID 2221476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).