1-methoxy-6,10-dimethyl-8-(methylamino)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol

C20H24N2O3 — CID 158495925

About 1-methoxy-6,10-dimethyl-8-(methylamino)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol

1-methoxy-6,10-dimethyl-8-(methylamino)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol (PubChem CID 158495925) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 1-methoxy-6,10-dimethyl-8-(methylamino)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol.

Molecular Properties

• Compound Name: 1-methoxy-6,10-dimethyl-8-(methylamino)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
• PubChem CID: 158495925
• Molecular Formula: C20H24N2O3
• Molecular Weight: 340.42 g/mol
• Exact Mass: 340.18
• IUPAC Name: 1-methoxy-6,10-dimethyl-8-(methylamino)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
• SMILES: CNc1c(O)c(C)cc2c1CC1c3c(cc(O)c(OC)c3-2)CCN1C
• InChI: InChI=1S/C20H24N2O3/c1-10-7-12-13(18(21-2)19(10)24)9-14-16-11(5-6-22(14)3)8-15(23)20(25-4)17(12)16/h7-8,14,21,23-24H,5-6,9H2,1-4H3
• InChIKey: VDQNTUCIHOXPKO-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 64.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.42
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-6,10-dimethyl-8-(methylamino)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol?

The IUPAC name of 1-methoxy-6,10-dimethyl-8-(methylamino)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol (CID 158495925) is 1-methoxy-6,10-dimethyl-8-(methylamino)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol.

What is the SMILES notation for 1-methoxy-6,10-dimethyl-8-(methylamino)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol?

The canonical SMILES for 1-methoxy-6,10-dimethyl-8-(methylamino)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol is CNc1c(O)c(C)cc2c1CC1c3c(cc(O)c(OC)c3-2)CCN1C.

What is the InChIKey of 1-methoxy-6,10-dimethyl-8-(methylamino)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol?

The InChIKey is VDQNTUCIHOXPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-10-7-12-13(18(21-2)19(10)24)9-14-16-11(5-6-22(14)3)8-15(23)20(25-4)17(12)16/h7-8,14,21,23-24H,5-6,9H2,1-4H3.

What are the key properties of 1-methoxy-6,10-dimethyl-8-(methylamino)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol?

1-methoxy-6,10-dimethyl-8-(methylamino)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol has a molecular weight of 340.42 g/mol, XLogP of 3.21, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methoxy-6,10-dimethyl-8-(methylamino)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol is sourced from PubChem (CID 158495925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).