(6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol

C20H23NO2 — CID 24800688

IUPAC(6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
SMILESCCCN1CCc2cc(OC)cc3c2[C@H]1Cc1cccc(O)c1-3
InChIInChI=1S/C20H23NO2/c1-3-8-21-9-7-14-10-15(23-2)12-16-19(14)17(21)11-13-5-4-6-18(22)20(13)16/h4-6,10,12,17,22H,3,7-9,11H2,1-2H3/t17-/m1/s1
InChIKeyPGKMOUOGPCFQTK-QGZVFWFLSA-N
MW309.41 g/mol
LogP3.93
Rot. Bonds3

About (6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol

(6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol (PubChem CID 24800688) has the molecular formula C20H23NO2 and a molecular weight of 309.41 g/mol. Its IUPAC name is (6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol.

Molecular Properties

Compound Name(6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
PubChem CID24800688
Molecular FormulaC20H23NO2
Molecular Weight309.41 g/mol
Exact Mass309.17
IUPAC Name(6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
SMILESCCCN1CCc2cc(OC)cc3c2[C@H]1Cc1cccc(O)c1-3
InChIInChI=1S/C20H23NO2/c1-3-8-21-9-7-14-10-15(23-2)12-16-19(14)17(21)11-13-5-4-6-18(22)20(13)16/h4-6,10,12,17,22H,3,7-9,11H2,1-2H3/t17-/m1/s1
InChIKeyPGKMOUOGPCFQTK-QGZVFWFLSA-N
XLogP3.93
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?
The IUPAC name of (6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol (CID 24800688) is (6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol.
What is the SMILES notation for (6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?
The canonical SMILES for (6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol is CCCN1CCc2cc(OC)cc3c2[C@H]1Cc1cccc(O)c1-3.
What is the InChIKey of (6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?
The InChIKey is PGKMOUOGPCFQTK-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H23NO2/c1-3-8-21-9-7-14-10-15(23-2)12-16-19(14)17(21)11-13-5-4-6-18(22)20(13)16/h4-6,10,12,17,22H,3,7-9,11H2,1-2H3/t17-/m1/s1.
What are the key properties of (6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?
(6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol has a molecular weight of 309.41 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-2-methoxy-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol is sourced from PubChem (CID 24800688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).