4-(7-chloroquinolin-4-yl)-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenol

C₂₂H₂₃ClN₂O₂ — CID 135988270

About 4-(7-chloroquinolin-4-yl)-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenol

4-(7-chloroquinolin-4-yl)-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenol (PubChem CID 135988270) has the molecular formula C₂₂H₂₃ClN₂O₂ and a molecular weight of 382.89 g/mol. Its IUPAC name is 4-(7-chloroquinolin-4-yl)-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenol.

Molecular Properties

• Compound Name: 4-(7-chloroquinolin-4-yl)-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenol
• PubChem CID: 135988270
• Molecular Formula: C₂₂H₂₃ClN₂O₂
• Molecular Weight: 382.89 g/mol
• Exact Mass: 382.14
• IUPAC Name: 4-(7-chloroquinolin-4-yl)-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenol
• SMILES: OCC1CCCN(Cc2cc(-c3ccnc4cc(Cl)ccc34)ccc2O)C1
• InChI: InChI=1S/C22H23ClN2O2/c23-18-4-5-20-19(7-8-24-21(20)11-18)16-3-6-22(27)17(10-16)13-25-9-1-2-15(12-25)14-26/h3-8,10-11,15,26-27H,1-2,9,12-14H2
• InChIKey: GFYVHFKUNMCFPV-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 56.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.89
LogP ≤ 5	4.47
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 4-(7-chloroquinolin-4-yl)-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenol?

The IUPAC name of 4-(7-chloroquinolin-4-yl)-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenol (CID 135988270) is 4-(7-chloroquinolin-4-yl)-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenol.

What is the SMILES notation for 4-(7-chloroquinolin-4-yl)-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenol?

The canonical SMILES for 4-(7-chloroquinolin-4-yl)-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenol is OCC1CCCN(Cc2cc(-c3ccnc4cc(Cl)ccc34)ccc2O)C1.

What is the InChIKey of 4-(7-chloroquinolin-4-yl)-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenol?

The InChIKey is GFYVHFKUNMCFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O2/c23-18-4-5-20-19(7-8-24-21(20)11-18)16-3-6-22(27)17(10-16)13-25-9-1-2-15(12-25)14-26/h3-8,10-11,15,26-27H,1-2,9,12-14H2.

What are the key properties of 4-(7-chloroquinolin-4-yl)-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenol?

4-(7-chloroquinolin-4-yl)-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenol has a molecular weight of 382.89 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(7-chloroquinolin-4-yl)-2-[[3-(hydroxymethyl)piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 135988270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 135988270 — identifiers, structure, computed properties (public domain)

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