5-[8-(diethylamino)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]-2-methoxyphenol

C23H28N2O2 — CID 17237706

About 5-[8-(diethylamino)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]-2-methoxyphenol

5-[8-(diethylamino)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]-2-methoxyphenol (PubChem CID 17237706) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is 5-[8-(diethylamino)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]-2-methoxyphenol.

Molecular Properties

• Compound Name: 5-[8-(diethylamino)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]-2-methoxyphenol
• PubChem CID: 17237706
• Molecular Formula: C23H28N2O2
• Molecular Weight: 364.49 g/mol
• Exact Mass: 364.22
• IUPAC Name: 5-[8-(diethylamino)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]-2-methoxyphenol
• SMILES: CCN(CC)c1ccc2c(c1)C1C=CCC1C(c1ccc(OC)c(O)c1)N2
• InChI: InChI=1S/C23H28N2O2/c1-4-25(5-2)16-10-11-20-19(14-16)17-7-6-8-18(17)23(24-20)15-9-12-22(27-3)21(26)13-15/h6-7,9-14,17-18,23-24,26H,4-5,8H2,1-3H3
• InChIKey: WMLYBAAKIHOQHW-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 44.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	364.49
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_alk_ene(51)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[8-(diethylamino)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]-2-methoxyphenol?

The IUPAC name of 5-[8-(diethylamino)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]-2-methoxyphenol (CID 17237706) is 5-[8-(diethylamino)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]-2-methoxyphenol.

What is the SMILES notation for 5-[8-(diethylamino)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]-2-methoxyphenol?

The canonical SMILES for 5-[8-(diethylamino)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]-2-methoxyphenol is CCN(CC)c1ccc2c(c1)C1C=CCC1C(c1ccc(OC)c(O)c1)N2.

What is the InChIKey of 5-[8-(diethylamino)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]-2-methoxyphenol?

The InChIKey is WMLYBAAKIHOQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-4-25(5-2)16-10-11-20-19(14-16)17-7-6-8-18(17)23(24-20)15-9-12-22(27-3)21(26)13-15/h6-7,9-14,17-18,23-24,26H,4-5,8H2,1-3H3.

What are the key properties of 5-[8-(diethylamino)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]-2-methoxyphenol?

5-[8-(diethylamino)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]-2-methoxyphenol has a molecular weight of 364.49 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[8-(diethylamino)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]-2-methoxyphenol is sourced from PubChem (CID 17237706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).