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

C19H21NO2 — CID 24800527

IUPAC(6aR)-6-ethyl-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
SMILESCCN1CCc2cc(OC)cc3c2[C@H]1Cc1cccc(O)c1-3
InChIInChI=1S/C19H21NO2/c1-3-20-8-7-13-9-14(22-2)11-15-18(13)16(20)10-12-5-4-6-17(21)19(12)15/h4-6,9,11,16,21H,3,7-8,10H2,1-2H3/t16-/m1/s1
InChIKeyOQCBYARNXRSEMX-MRXNPFEDSA-N
MW295.38 g/mol
LogP3.54
Rot. Bonds2

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

(6aR)-6-ethyl-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol (PubChem CID 24800527) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (6aR)-6-ethyl-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol.

Molecular Properties

Compound Name(6aR)-6-ethyl-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
PubChem CID24800527
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(6aR)-6-ethyl-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
SMILESCCN1CCc2cc(OC)cc3c2[C@H]1Cc1cccc(O)c1-3
InChIInChI=1S/C19H21NO2/c1-3-20-8-7-13-9-14(22-2)11-15-18(13)16(20)10-12-5-4-6-17(21)19(12)15/h4-6,9,11,16,21H,3,7-8,10H2,1-2H3/t16-/m1/s1
InChIKeyOQCBYARNXRSEMX-MRXNPFEDSA-N
XLogP3.54
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6aR)-6-ethyl-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?
The IUPAC name of (6aR)-6-ethyl-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol (CID 24800527) is (6aR)-6-ethyl-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol.
What is the SMILES notation for (6aR)-6-ethyl-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?
The canonical SMILES for (6aR)-6-ethyl-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol is CCN1CCc2cc(OC)cc3c2[C@H]1Cc1cccc(O)c1-3.
What is the InChIKey of (6aR)-6-ethyl-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?
The InChIKey is OQCBYARNXRSEMX-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21NO2/c1-3-20-8-7-13-9-14(22-2)11-15-18(13)16(20)10-12-5-4-6-17(21)19(12)15/h4-6,9,11,16,21H,3,7-8,10H2,1-2H3/t16-/m1/s1.
What are the key properties of (6aR)-6-ethyl-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?
(6aR)-6-ethyl-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol has a molecular weight of 295.38 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-6-ethyl-2-methoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol is sourced from PubChem (CID 24800527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).