2,3,4-trideuterioquinoline

C9H7N — CID 20628621

IUPAC2,3,4-trideuterioquinoline
SMILES[2H]c1nc2ccccc2c([2H])c1[2H]
InChIInChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H/i3D,5D,7D
InChIKeySMWDFEZZVXVKRB-YOOLLTNUSA-N
MW132.18 g/mol
LogP2.23
Rot. Bonds

About 2,3,4-trideuterioquinoline

2,3,4-trideuterioquinoline (PubChem CID 20628621) has the molecular formula C9H7N and a molecular weight of 132.18 g/mol. Its IUPAC name is 2,3,4-trideuterioquinoline.

Molecular Properties

Compound Name2,3,4-trideuterioquinoline
PubChem CID20628621
Molecular FormulaC9H7N
Molecular Weight132.18 g/mol
Exact Mass132.08
IUPAC Name2,3,4-trideuterioquinoline
SMILES[2H]c1nc2ccccc2c([2H])c1[2H]
InChIInChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H/i3D,5D,7D
InChIKeySMWDFEZZVXVKRB-YOOLLTNUSA-N
XLogP2.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3,4-trideuterioquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trideuterioquinoline?
The IUPAC name of 2,3,4-trideuterioquinoline (CID 20628621) is 2,3,4-trideuterioquinoline.
What is the SMILES notation for 2,3,4-trideuterioquinoline?
The canonical SMILES for 2,3,4-trideuterioquinoline is [2H]c1nc2ccccc2c([2H])c1[2H].
What is the InChIKey of 2,3,4-trideuterioquinoline?
The InChIKey is SMWDFEZZVXVKRB-YOOLLTNUSA-N. The full InChI is InChI=1S/C9H7N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-7H/i3D,5D,7D.
What are the key properties of 2,3,4-trideuterioquinoline?
2,3,4-trideuterioquinoline has a molecular weight of 132.18 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trideuterioquinoline is sourced from PubChem (CID 20628621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).