1,10-dimethoxy-6-methyl-3,4-dipentyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol

C29H41NO4 — CID 67602244

About 1,10-dimethoxy-6-methyl-3,4-dipentyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol

1,10-dimethoxy-6-methyl-3,4-dipentyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol (PubChem CID 67602244) has the molecular formula C29H41NO4 and a molecular weight of 467.65 g/mol. Its IUPAC name is 1,10-dimethoxy-6-methyl-3,4-dipentyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol.

Molecular Properties

• Compound Name: 1,10-dimethoxy-6-methyl-3,4-dipentyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
• PubChem CID: 67602244
• Molecular Formula: C29H41NO4
• Molecular Weight: 467.65 g/mol
• Exact Mass: 467.30
• IUPAC Name: 1,10-dimethoxy-6-methyl-3,4-dipentyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
• SMILES: CCCCCc1c(O)c(OC)c2c3c1C(CCCCC)CN(C)C3Cc1cc(O)c(OC)cc1-2
• InChI: InChI=1S/C29H41NO4/c1-6-8-10-12-18-17-30(3)22-14-19-15-23(31)24(33-4)16-21(19)26-27(22)25(18)20(13-11-9-7-2)28(32)29(26)34-5/h15-16,18,22,31-32H,6-14,17H2,1-5H3
• InChIKey: WIXUDOIAVVQKRC-UHFFFAOYSA-N
• XLogP: 6.72
• TPSA: 62.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.65
LogP ≤ 5	6.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,10-dimethoxy-6-methyl-3,4-dipentyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol?

The IUPAC name of 1,10-dimethoxy-6-methyl-3,4-dipentyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol (CID 67602244) is 1,10-dimethoxy-6-methyl-3,4-dipentyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol.

What is the SMILES notation for 1,10-dimethoxy-6-methyl-3,4-dipentyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol?

The canonical SMILES for 1,10-dimethoxy-6-methyl-3,4-dipentyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol is CCCCCc1c(O)c(OC)c2c3c1C(CCCCC)CN(C)C3Cc1cc(O)c(OC)cc1-2.

What is the InChIKey of 1,10-dimethoxy-6-methyl-3,4-dipentyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol?

The InChIKey is WIXUDOIAVVQKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H41NO4/c1-6-8-10-12-18-17-30(3)22-14-19-15-23(31)24(33-4)16-21(19)26-27(22)25(18)20(13-11-9-7-2)28(32)29(26)34-5/h15-16,18,22,31-32H,6-14,17H2,1-5H3.

What are the key properties of 1,10-dimethoxy-6-methyl-3,4-dipentyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol?

1,10-dimethoxy-6-methyl-3,4-dipentyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol has a molecular weight of 467.65 g/mol, XLogP of 6.72, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,10-dimethoxy-6-methyl-3,4-dipentyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol is sourced from PubChem (CID 67602244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).