(6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

C18H19NO — CID 44567686

IUPAC(6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESCOc1cc2c3c(c1)-c1ccccc1C[C@H]3N(C)CC2
InChIInChI=1S/C18H19NO/c1-19-8-7-13-9-14(20-2)11-16-15-6-4-3-5-12(15)10-17(19)18(13)16/h3-6,9,11,17H,7-8,10H2,1-2H3/t17-/m1/s1
InChIKeyUVNXQKRQDGRTSE-QGZVFWFLSA-N
MW265.36 g/mol
LogP3.45
Rot. Bonds1

About (6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

(6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (PubChem CID 44567686) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is (6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.

Molecular Properties

Compound Name(6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
PubChem CID44567686
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name(6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline
SMILESCOc1cc2c3c(c1)-c1ccccc1C[C@H]3N(C)CC2
InChIInChI=1S/C18H19NO/c1-19-8-7-13-9-14(20-2)11-16-15-6-4-3-5-12(15)10-17(19)18(13)16/h3-6,9,11,17H,7-8,10H2,1-2H3/t17-/m1/s1
InChIKeyUVNXQKRQDGRTSE-QGZVFWFLSA-N
XLogP3.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The IUPAC name of (6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline (CID 44567686) is (6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline.
What is the SMILES notation for (6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The canonical SMILES for (6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is COc1cc2c3c(c1)-c1ccccc1C[C@H]3N(C)CC2.
What is the InChIKey of (6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
The InChIKey is UVNXQKRQDGRTSE-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19NO/c1-19-8-7-13-9-14(20-2)11-16-15-6-4-3-5-12(15)10-17(19)18(13)16/h3-6,9,11,17H,7-8,10H2,1-2H3/t17-/m1/s1.
What are the key properties of (6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline?
(6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline has a molecular weight of 265.36 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline is sourced from PubChem (CID 44567686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).