(6aR)-3-ethoxy-10-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol

C20H23NO3 — CID 101127138

About (6aR)-3-ethoxy-10-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol

(6aR)-3-ethoxy-10-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol (PubChem CID 101127138) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is (6aR)-3-ethoxy-10-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol.

Molecular Properties

• Compound Name: (6aR)-3-ethoxy-10-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
• PubChem CID: 101127138
• Molecular Formula: C20H23NO3
• Molecular Weight: 325.41 g/mol
• Exact Mass: 325.17
• IUPAC Name: (6aR)-3-ethoxy-10-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
• SMILES: CCOc1ccc2c3c1CCN(C)[C@@H]3Cc1ccc(OC)c(O)c1-2
• InChI: InChI=1S/C20H23NO3/c1-4-24-16-8-6-14-18-12(5-7-17(23-3)20(18)22)11-15-19(14)13(16)9-10-21(15)2/h5-8,15,22H,4,9-11H2,1-3H3/t15-/m1/s1
• InChIKey: CLUCEZKQVMEYKJ-OAHLLOKOSA-N
• XLogP: 3.55
• TPSA: 41.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	325.41
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (6aR)-3-ethoxy-10-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?

The IUPAC name of (6aR)-3-ethoxy-10-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol (CID 101127138) is (6aR)-3-ethoxy-10-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol.

What is the SMILES notation for (6aR)-3-ethoxy-10-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?

The canonical SMILES for (6aR)-3-ethoxy-10-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol is CCOc1ccc2c3c1CCN(C)[C@@H]3Cc1ccc(OC)c(O)c1-2.

What is the InChIKey of (6aR)-3-ethoxy-10-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?

The InChIKey is CLUCEZKQVMEYKJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H23NO3/c1-4-24-16-8-6-14-18-12(5-7-17(23-3)20(18)22)11-15-19(14)13(16)9-10-21(15)2/h5-8,15,22H,4,9-11H2,1-3H3/t15-/m1/s1.

What are the key properties of (6aR)-3-ethoxy-10-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?

(6aR)-3-ethoxy-10-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol has a molecular weight of 325.41 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (6aR)-3-ethoxy-10-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol is sourced from PubChem (CID 101127138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).