(6aR)-2,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol

C18H19NO2 — CID 44567292

IUPAC(6aR)-2,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
SMILESCc1cc2c3c(c1)-c1c(ccc(O)c1O)C[C@H]3N(C)CC2
InChIInChI=1S/C18H19NO2/c1-10-7-12-5-6-19(2)14-9-11-3-4-15(20)18(21)17(11)13(8-10)16(12)14/h3-4,7-8,14,20-21H,5-6,9H2,1-2H3/t14-/m1/s1
InChIKeyQRJZCXSRTBCYIW-CQSZACIVSA-N
MW281.36 g/mol
LogP3.16
Rot. Bonds

About (6aR)-2,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol

(6aR)-2,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol (PubChem CID 44567292) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (6aR)-2,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol.

Molecular Properties

Compound Name(6aR)-2,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
PubChem CID44567292
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(6aR)-2,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
SMILESCc1cc2c3c(c1)-c1c(ccc(O)c1O)C[C@H]3N(C)CC2
InChIInChI=1S/C18H19NO2/c1-10-7-12-5-6-19(2)14-9-11-3-4-15(20)18(21)17(11)13(8-10)16(12)14/h3-4,7-8,14,20-21H,5-6,9H2,1-2H3/t14-/m1/s1
InChIKeyQRJZCXSRTBCYIW-CQSZACIVSA-N
XLogP3.16
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6aR)-2,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol?
The IUPAC name of (6aR)-2,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol (CID 44567292) is (6aR)-2,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol.
What is the SMILES notation for (6aR)-2,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol?
The canonical SMILES for (6aR)-2,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol is Cc1cc2c3c(c1)-c1c(ccc(O)c1O)C[C@H]3N(C)CC2.
What is the InChIKey of (6aR)-2,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol?
The InChIKey is QRJZCXSRTBCYIW-CQSZACIVSA-N. The full InChI is InChI=1S/C18H19NO2/c1-10-7-12-5-6-19(2)14-9-11-3-4-15(20)18(21)17(11)13(8-10)16(12)14/h3-4,7-8,14,20-21H,5-6,9H2,1-2H3/t14-/m1/s1.
What are the key properties of (6aR)-2,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol?
(6aR)-2,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol has a molecular weight of 281.36 g/mol, XLogP of 3.16, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-2,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol is sourced from PubChem (CID 44567292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).