1,6,10-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol

C19H21NO2 — CID 71076138

IUPAC1,6,10-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
SMILESCc1cc2c(cc1O)CC1c3c(cc(O)c(C)c3-2)CCN1C
InChIInChI=1S/C19H21NO2/c1-10-6-14-13(9-16(10)21)7-15-19-12(4-5-20(15)3)8-17(22)11(2)18(14)19/h6,8-9,15,21-22H,4-5,7H2,1-3H3
InChIKeyWMSNWPQGQMDDSU-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.47
Rot. Bonds

About 1,6,10-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol

1,6,10-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol (PubChem CID 71076138) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1,6,10-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol.

Molecular Properties

Compound Name1,6,10-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
PubChem CID71076138
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1,6,10-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol
SMILESCc1cc2c(cc1O)CC1c3c(cc(O)c(C)c3-2)CCN1C
InChIInChI=1S/C19H21NO2/c1-10-6-14-13(9-16(10)21)7-15-19-12(4-5-20(15)3)8-17(22)11(2)18(14)19/h6,8-9,15,21-22H,4-5,7H2,1-3H3
InChIKeyWMSNWPQGQMDDSU-UHFFFAOYSA-N
XLogP3.47
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,6,10-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol?
The IUPAC name of 1,6,10-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol (CID 71076138) is 1,6,10-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol.
What is the SMILES notation for 1,6,10-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol?
The canonical SMILES for 1,6,10-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol is Cc1cc2c(cc1O)CC1c3c(cc(O)c(C)c3-2)CCN1C.
What is the InChIKey of 1,6,10-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol?
The InChIKey is WMSNWPQGQMDDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO2/c1-10-6-14-13(9-16(10)21)7-15-19-12(4-5-20(15)3)8-17(22)11(2)18(14)19/h6,8-9,15,21-22H,4-5,7H2,1-3H3.
What are the key properties of 1,6,10-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol?
1,6,10-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol has a molecular weight of 295.38 g/mol, XLogP of 3.47, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,10-trimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,9-diol is sourced from PubChem (CID 71076138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).