5-cyclopent-3-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol

C25H27NO3 — CID 22314860

About 5-cyclopent-3-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol

5-cyclopent-3-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol (PubChem CID 22314860) has the molecular formula C25H27NO3 and a molecular weight of 389.50 g/mol. Its IUPAC name is 5-cyclopent-3-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol.

Molecular Properties

• Compound Name: 5-cyclopent-3-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
• PubChem CID: 22314860
• Molecular Formula: C25H27NO3
• Molecular Weight: 389.50 g/mol
• Exact Mass: 389.20
• IUPAC Name: 5-cyclopent-3-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
• SMILES: COc1c(O)ccc2c1-c1ccc3c(c1C(C1CC=CC1)O2)C(C)=CC(C)(C)N3
• InChI: InChI=1S/C25H27NO3/c1-14-13-25(2,3)26-17-10-9-16-21-19(12-11-18(27)24(21)28-4)29-23(22(16)20(14)17)15-7-5-6-8-15/h5-6,9-13,15,23,26-27H,7-8H2,1-4H3
• InChIKey: ZJDOKOYFQMUCAA-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 50.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	389.50
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-cyclopent-3-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol?

The IUPAC name of 5-cyclopent-3-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol (CID 22314860) is 5-cyclopent-3-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol.

What is the SMILES notation for 5-cyclopent-3-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol?

The canonical SMILES for 5-cyclopent-3-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol is COc1c(O)ccc2c1-c1ccc3c(c1C(C1CC=CC1)O2)C(C)=CC(C)(C)N3.

What is the InChIKey of 5-cyclopent-3-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol?

The InChIKey is ZJDOKOYFQMUCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO3/c1-14-13-25(2,3)26-17-10-9-16-21-19(12-11-18(27)24(21)28-4)29-23(22(16)20(14)17)15-7-5-6-8-15/h5-6,9-13,15,23,26-27H,7-8H2,1-4H3.

What are the key properties of 5-cyclopent-3-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol?

5-cyclopent-3-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol has a molecular weight of 389.50 g/mol, XLogP of 6.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopent-3-en-1-yl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol is sourced from PubChem (CID 22314860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).