2-(7-chloro-8-ethoxy-4-methylquinolin-2-yl)-4-methoxyphenol

C₁₉H₁₈ClNO₃ — CID 169419996

About 2-(7-chloro-8-ethoxy-4-methylquinolin-2-yl)-4-methoxyphenol

2-(7-chloro-8-ethoxy-4-methylquinolin-2-yl)-4-methoxyphenol (PubChem CID 169419996) has the molecular formula C₁₉H₁₈ClNO₃ and a molecular weight of 343.81 g/mol. Its IUPAC name is 2-(7-chloro-8-ethoxy-4-methylquinolin-2-yl)-4-methoxyphenol.

Molecular Properties

• Compound Name: 2-(7-chloro-8-ethoxy-4-methylquinolin-2-yl)-4-methoxyphenol
• PubChem CID: 169419996
• Molecular Formula: C₁₉H₁₈ClNO₃
• Molecular Weight: 343.81 g/mol
• Exact Mass: 343.10
• IUPAC Name: 2-(7-chloro-8-ethoxy-4-methylquinolin-2-yl)-4-methoxyphenol
• SMILES: CCOc1c(Cl)ccc2c(C)cc(-c3cc(OC)ccc3O)nc12
• InChI: InChI=1S/C19H18ClNO3/c1-4-24-19-15(20)7-6-13-11(2)9-16(21-18(13)19)14-10-12(23-3)5-8-17(14)22/h5-10,22H,4H2,1-3H3
• InChIKey: CHOQVWFBQUVTKV-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 51.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.81
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-8-ethoxy-4-methylquinolin-2-yl)-4-methoxyphenol?

The IUPAC name of 2-(7-chloro-8-ethoxy-4-methylquinolin-2-yl)-4-methoxyphenol (CID 169419996) is 2-(7-chloro-8-ethoxy-4-methylquinolin-2-yl)-4-methoxyphenol.

What is the SMILES notation for 2-(7-chloro-8-ethoxy-4-methylquinolin-2-yl)-4-methoxyphenol?

The canonical SMILES for 2-(7-chloro-8-ethoxy-4-methylquinolin-2-yl)-4-methoxyphenol is CCOc1c(Cl)ccc2c(C)cc(-c3cc(OC)ccc3O)nc12.

What is the InChIKey of 2-(7-chloro-8-ethoxy-4-methylquinolin-2-yl)-4-methoxyphenol?

The InChIKey is CHOQVWFBQUVTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3/c1-4-24-19-15(20)7-6-13-11(2)9-16(21-18(13)19)14-10-12(23-3)5-8-17(14)22/h5-10,22H,4H2,1-3H3.

What are the key properties of 2-(7-chloro-8-ethoxy-4-methylquinolin-2-yl)-4-methoxyphenol?

2-(7-chloro-8-ethoxy-4-methylquinolin-2-yl)-4-methoxyphenol has a molecular weight of 343.81 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(7-chloro-8-ethoxy-4-methylquinolin-2-yl)-4-methoxyphenol is sourced from PubChem (CID 169419996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 169419996 — identifiers, structure, computed properties (public domain)

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