5-but-3-enyl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol

C24H27NO3 — CID 22314886

About 5-but-3-enyl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol

5-but-3-enyl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol (PubChem CID 22314886) has the molecular formula C24H27NO3 and a molecular weight of 377.48 g/mol. Its IUPAC name is 5-but-3-enyl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol.

Molecular Properties

• Compound Name: 5-but-3-enyl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
• PubChem CID: 22314886
• Molecular Formula: C24H27NO3
• Molecular Weight: 377.48 g/mol
• Exact Mass: 377.20
• IUPAC Name: 5-but-3-enyl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol
• SMILES: C=CCCC1Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3
• InChI: InChI=1S/C24H27NO3/c1-6-7-8-18-21-15(22-19(28-18)12-11-17(26)23(22)27-5)9-10-16-20(21)14(2)13-24(3,4)25-16/h6,9-13,18,25-26H,1,7-8H2,2-5H3
• InChIKey: JPFWVFKCUCQKNN-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 50.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	377.48
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-but-3-enyl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol?

The IUPAC name of 5-but-3-enyl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol (CID 22314886) is 5-but-3-enyl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol.

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

The canonical SMILES for 5-but-3-enyl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol is C=CCCC1Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3.

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

The InChIKey is JPFWVFKCUCQKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO3/c1-6-7-8-18-21-15(22-19(28-18)12-11-17(26)23(22)27-5)9-10-16-20(21)14(2)13-24(3,4)25-16/h6,9-13,18,25-26H,1,7-8H2,2-5H3.

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

5-but-3-enyl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol has a molecular weight of 377.48 g/mol, XLogP of 6.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-but-3-enyl-10-methoxy-2,2,4-trimethyl-1,5-dihydrochromeno[3,4-f]quinolin-9-ol is sourced from PubChem (CID 22314886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).