1-deuterio-4H-quinoline

C9H9N — CID 173319795

IUPAC1-deuterio-4H-quinoline
SMILES[2H]N1C=CCc2ccccc21
InChIInChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-4,6-7,10H,5H2/i/hD
InChIKeyROBKVGDBQLURAF-DYCDLGHISA-N
MW132.18 g/mol
LogP2.17
Rot. Bonds

About 1-deuterio-4H-quinoline

1-deuterio-4H-quinoline (PubChem CID 173319795) has the molecular formula C9H9N and a molecular weight of 132.18 g/mol. Its IUPAC name is 1-deuterio-4H-quinoline.

Molecular Properties

Compound Name1-deuterio-4H-quinoline
PubChem CID173319795
Molecular FormulaC9H9N
Molecular Weight132.18 g/mol
Exact Mass132.08
IUPAC Name1-deuterio-4H-quinoline
SMILES[2H]N1C=CCc2ccccc21
InChIInChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-4,6-7,10H,5H2/i/hD
InChIKeyROBKVGDBQLURAF-DYCDLGHISA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.18
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-deuterio-4H-quinoline?
The IUPAC name of 1-deuterio-4H-quinoline (CID 173319795) is 1-deuterio-4H-quinoline.
What is the SMILES notation for 1-deuterio-4H-quinoline?
The canonical SMILES for 1-deuterio-4H-quinoline is [2H]N1C=CCc2ccccc21.
What is the InChIKey of 1-deuterio-4H-quinoline?
The InChIKey is ROBKVGDBQLURAF-DYCDLGHISA-N. The full InChI is InChI=1S/C9H9N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-4,6-7,10H,5H2/i/hD.
What are the key properties of 1-deuterio-4H-quinoline?
1-deuterio-4H-quinoline has a molecular weight of 132.18 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-deuterio-4H-quinoline is sourced from PubChem (CID 173319795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).