7-[(R)-(2-chloro-6-fluorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol

C22H17ClFN3O — CID 1335597

About 7-[(R)-(2-chloro-6-fluorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol

7-[(R)-(2-chloro-6-fluorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol (PubChem CID 1335597) has the molecular formula C22H17ClFN3O and a molecular weight of 393.85 g/mol. Its IUPAC name is 7-[(R)-(2-chloro-6-fluorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol.

Molecular Properties

• Compound Name: 7-[(R)-(2-chloro-6-fluorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
• PubChem CID: 1335597
• Molecular Formula: C22H17ClFN3O
• Molecular Weight: 393.85 g/mol
• Exact Mass: 393.10
• IUPAC Name: 7-[(R)-(2-chloro-6-fluorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol
• SMILES: Cc1ccnc(N[C@H](c2ccc3cccnc3c2O)c2c(F)cccc2Cl)c1
• InChI: InChI=1S/C22H17ClFN3O/c1-13-9-11-25-18(12-13)27-21(19-16(23)5-2-6-17(19)24)15-8-7-14-4-3-10-26-20(14)22(15)28/h2-12,21,28H,1H3,(H,25,27)/t21-/m1/s1
• InChIKey: CRIZOPXWFAJBPS-OAQYLSRUSA-N
• XLogP: 5.64
• TPSA: 58.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	393.85
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-[(R)-(2-chloro-6-fluorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?

The IUPAC name of 7-[(R)-(2-chloro-6-fluorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol (CID 1335597) is 7-[(R)-(2-chloro-6-fluorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol.

What is the SMILES notation for 7-[(R)-(2-chloro-6-fluorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?

The canonical SMILES for 7-[(R)-(2-chloro-6-fluorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol is Cc1ccnc(N[C@H](c2ccc3cccnc3c2O)c2c(F)cccc2Cl)c1.

What is the InChIKey of 7-[(R)-(2-chloro-6-fluorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?

The InChIKey is CRIZOPXWFAJBPS-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H17ClFN3O/c1-13-9-11-25-18(12-13)27-21(19-16(23)5-2-6-17(19)24)15-8-7-14-4-3-10-26-20(14)22(15)28/h2-12,21,28H,1H3,(H,25,27)/t21-/m1/s1.

What are the key properties of 7-[(R)-(2-chloro-6-fluorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol?

7-[(R)-(2-chloro-6-fluorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol has a molecular weight of 393.85 g/mol, XLogP of 5.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[(R)-(2-chloro-6-fluorophenyl)-[(4-methyl-2-pyridinyl)amino]methyl]quinolin-8-ol is sourced from PubChem (CID 1335597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).