(6aR)-10-methoxy-11-[(2-methylpropan-2-yl)oxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

C21H25NO2 — CID 58613152

IUPAC(6aR)-10-methoxy-11-[(2-methylpropan-2-yl)oxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESCOc1ccc2c(c1OC(C)(C)C)-c1cccc3c1[C@@H](C2)NCC3
InChIInChI=1S/C21H25NO2/c1-21(2,3)24-20-17(23-4)9-8-14-12-16-18-13(10-11-22-16)6-5-7-15(18)19(14)20/h5-9,16,22H,10-12H2,1-4H3/t16-/m1/s1
InChIKeyISULSAQIKYGTET-MRXNPFEDSA-N
MW323.44 g/mol
LogP4.28
Rot. Bonds2

About (6aR)-10-methoxy-11-[(2-methylpropan-2-yl)oxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

(6aR)-10-methoxy-11-[(2-methylpropan-2-yl)oxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (PubChem CID 58613152) has the molecular formula C21H25NO2 and a molecular weight of 323.44 g/mol. Its IUPAC name is (6aR)-10-methoxy-11-[(2-methylpropan-2-yl)oxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.

Molecular Properties

Compound Name(6aR)-10-methoxy-11-[(2-methylpropan-2-yl)oxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
PubChem CID58613152
Molecular FormulaC21H25NO2
Molecular Weight323.44 g/mol
Exact Mass323.19
IUPAC Name(6aR)-10-methoxy-11-[(2-methylpropan-2-yl)oxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESCOc1ccc2c(c1OC(C)(C)C)-c1cccc3c1[C@@H](C2)NCC3
InChIInChI=1S/C21H25NO2/c1-21(2,3)24-20-17(23-4)9-8-14-12-16-18-13(10-11-22-16)6-5-7-15(18)19(14)20/h5-9,16,22H,10-12H2,1-4H3/t16-/m1/s1
InChIKeyISULSAQIKYGTET-MRXNPFEDSA-N
XLogP4.28
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (6aR)-10-methoxy-11-[(2-methylpropan-2-yl)oxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6aR)-10-methoxy-11-[(2-methylpropan-2-yl)oxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The IUPAC name of (6aR)-10-methoxy-11-[(2-methylpropan-2-yl)oxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (CID 58613152) is (6aR)-10-methoxy-11-[(2-methylpropan-2-yl)oxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.
What is the SMILES notation for (6aR)-10-methoxy-11-[(2-methylpropan-2-yl)oxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The canonical SMILES for (6aR)-10-methoxy-11-[(2-methylpropan-2-yl)oxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is COc1ccc2c(c1OC(C)(C)C)-c1cccc3c1[C@@H](C2)NCC3.
What is the InChIKey of (6aR)-10-methoxy-11-[(2-methylpropan-2-yl)oxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The InChIKey is ISULSAQIKYGTET-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25NO2/c1-21(2,3)24-20-17(23-4)9-8-14-12-16-18-13(10-11-22-16)6-5-7-15(18)19(14)20/h5-9,16,22H,10-12H2,1-4H3/t16-/m1/s1.
What are the key properties of (6aR)-10-methoxy-11-[(2-methylpropan-2-yl)oxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
(6aR)-10-methoxy-11-[(2-methylpropan-2-yl)oxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline has a molecular weight of 323.44 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-10-methoxy-11-[(2-methylpropan-2-yl)oxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is sourced from PubChem (CID 58613152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).