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

C18H19NO2 — CID 24766199

IUPAC(6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
SMILESCOc1cc2c3c(c1)-c1c(O)cccc1C[C@H]3N(C)CC2
InChIInChI=1S/C18H19NO2/c1-19-7-6-12-8-13(21-2)10-14-17(12)15(19)9-11-4-3-5-16(20)18(11)14/h3-5,8,10,15,20H,6-7,9H2,1-2H3/t15-/m1/s1
InChIKeyUGNGRDRWDHJJJI-OAHLLOKOSA-N
MW281.36 g/mol
LogP3.15
Rot. Bonds1

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

(6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol (PubChem CID 24766199) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol.

Molecular Properties

Compound Name(6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
PubChem CID24766199
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
SMILESCOc1cc2c3c(c1)-c1c(O)cccc1C[C@H]3N(C)CC2
InChIInChI=1S/C18H19NO2/c1-19-7-6-12-8-13(21-2)10-14-17(12)15(19)9-11-4-3-5-16(20)18(11)14/h3-5,8,10,15,20H,6-7,9H2,1-2H3/t15-/m1/s1
InChIKeyUGNGRDRWDHJJJI-OAHLLOKOSA-N
XLogP3.15
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.15
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-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?
The IUPAC name of (6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol (CID 24766199) is (6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol.
What is the SMILES notation for (6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?
The canonical SMILES for (6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol is COc1cc2c3c(c1)-c1c(O)cccc1C[C@H]3N(C)CC2.
What is the InChIKey of (6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?
The InChIKey is UGNGRDRWDHJJJI-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19NO2/c1-19-7-6-12-8-13(21-2)10-14-17(12)15(19)9-11-4-3-5-16(20)18(11)14/h3-5,8,10,15,20H,6-7,9H2,1-2H3/t15-/m1/s1.
What are the key properties of (6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol?
(6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol has a molecular weight of 281.36 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 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]quinolin-11-ol is sourced from PubChem (CID 24766199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).