4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol

C₂₀H₁₉NO₃ — CID 170504904

About 4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol

4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol (PubChem CID 170504904) has the molecular formula C₂₀H₁₉NO₃ and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol.

Molecular Properties

• Compound Name: 4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol
• PubChem CID: 170504904
• Molecular Formula: C₂₀H₁₉NO₃
• Molecular Weight: 321.38 g/mol
• Exact Mass: 321.14
• IUPAC Name: 4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol
• SMILES: COc1cc(-c2cc(C3CC3)c3ccc(CO)cc3n2)ccc1O
• InChI: InChI=1S/C20H19NO3/c1-24-20-9-14(5-7-19(20)23)17-10-16(13-3-4-13)15-6-2-12(11-22)8-18(15)21-17/h2,5-10,13,22-23H,3-4,11H2,1H3
• InChIKey: HDPRFBZYZINVRN-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 62.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	321.38
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol?

The IUPAC name of 4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol (CID 170504904) is 4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol.

What is the SMILES notation for 4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol?

The canonical SMILES for 4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol is COc1cc(-c2cc(C3CC3)c3ccc(CO)cc3n2)ccc1O.

What is the InChIKey of 4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol?

The InChIKey is HDPRFBZYZINVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-24-20-9-14(5-7-19(20)23)17-10-16(13-3-4-13)15-6-2-12(11-22)8-18(15)21-17/h2,5-10,13,22-23H,3-4,11H2,1H3.

What are the key properties of 4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol?

4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol has a molecular weight of 321.38 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-cyclopropyl-7-(hydroxymethyl)quinolin-2-yl]-2-methoxyphenol is sourced from PubChem (CID 170504904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 170504904 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.