5,6-dideuteriobenzo[h]quinolin-10-ol

C13H9NO — CID 140578677

IUPAC5,6-dideuteriobenzo[h]quinolin-10-ol
SMILES[2H]c1c([2H])c2cccc(O)c2c2ncccc12
InChIInChI=1S/C13H9NO/c15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11/h1-8,15H/i6D,7D
InChIKeyKESRRRLHHXXBRW-QFIQSOQBSA-N
MW197.23 g/mol
LogP3.09
Rot. Bonds

About 5,6-dideuteriobenzo[h]quinolin-10-ol

5,6-dideuteriobenzo[h]quinolin-10-ol (PubChem CID 140578677) has the molecular formula C13H9NO and a molecular weight of 197.23 g/mol. Its IUPAC name is 5,6-dideuteriobenzo[h]quinolin-10-ol.

Molecular Properties

Compound Name5,6-dideuteriobenzo[h]quinolin-10-ol
PubChem CID140578677
Molecular FormulaC13H9NO
Molecular Weight197.23 g/mol
Exact Mass197.08
IUPAC Name5,6-dideuteriobenzo[h]quinolin-10-ol
SMILES[2H]c1c([2H])c2cccc(O)c2c2ncccc12
InChIInChI=1S/C13H9NO/c15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11/h1-8,15H/i6D,7D
InChIKeyKESRRRLHHXXBRW-QFIQSOQBSA-N
XLogP3.09
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dideuteriobenzo[h]quinolin-10-ol?
The IUPAC name of 5,6-dideuteriobenzo[h]quinolin-10-ol (CID 140578677) is 5,6-dideuteriobenzo[h]quinolin-10-ol.
What is the SMILES notation for 5,6-dideuteriobenzo[h]quinolin-10-ol?
The canonical SMILES for 5,6-dideuteriobenzo[h]quinolin-10-ol is [2H]c1c([2H])c2cccc(O)c2c2ncccc12.
What is the InChIKey of 5,6-dideuteriobenzo[h]quinolin-10-ol?
The InChIKey is KESRRRLHHXXBRW-QFIQSOQBSA-N. The full InChI is InChI=1S/C13H9NO/c15-11-5-1-3-9-6-7-10-4-2-8-14-13(10)12(9)11/h1-8,15H/i6D,7D.
What are the key properties of 5,6-dideuteriobenzo[h]quinolin-10-ol?
5,6-dideuteriobenzo[h]quinolin-10-ol has a molecular weight of 197.23 g/mol, XLogP of 3.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dideuteriobenzo[h]quinolin-10-ol is sourced from PubChem (CID 140578677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).