2-azido-4-methyl-3-(trideuteriomethyl)imidazo[4,5-f]quinoline

C12H10N6 — CID 46780531

IUPAC2-azido-4-methyl-3-(trideuteriomethyl)imidazo[4,5-f]quinoline
SMILES[2H]C([2H])([2H])n1c(N=[N+]=[N-])nc2c3cccnc3cc(C)c21
InChIInChI=1S/C12H10N6/c1-7-6-9-8(4-3-5-14-9)10-11(7)18(2)12(15-10)16-17-13/h3-6H,1-2H3/i2D3
InChIKeyGUYGDZSFLARRCN-BMSJAHLVSA-N
MW241.27 g/mol
LogP3.37
Rot. Bonds2

About 2-azido-4-methyl-3-(trideuteriomethyl)imidazo[4,5-f]quinoline

2-azido-4-methyl-3-(trideuteriomethyl)imidazo[4,5-f]quinoline (PubChem CID 46780531) has the molecular formula C12H10N6 and a molecular weight of 241.27 g/mol. Its IUPAC name is 2-azido-4-methyl-3-(trideuteriomethyl)imidazo[4,5-f]quinoline.

Molecular Properties

Compound Name2-azido-4-methyl-3-(trideuteriomethyl)imidazo[4,5-f]quinoline
PubChem CID46780531
Molecular FormulaC12H10N6
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Name2-azido-4-methyl-3-(trideuteriomethyl)imidazo[4,5-f]quinoline
SMILES[2H]C([2H])([2H])n1c(N=[N+]=[N-])nc2c3cccnc3cc(C)c21
InChIInChI=1S/C12H10N6/c1-7-6-9-8(4-3-5-14-9)10-11(7)18(2)12(15-10)16-17-13/h3-6H,1-2H3/i2D3
InChIKeyGUYGDZSFLARRCN-BMSJAHLVSA-N
XLogP3.37
TPSA79.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-azido-4-methyl-3-(trideuteriomethyl)imidazo[4,5-f]quinoline?
The IUPAC name of 2-azido-4-methyl-3-(trideuteriomethyl)imidazo[4,5-f]quinoline (CID 46780531) is 2-azido-4-methyl-3-(trideuteriomethyl)imidazo[4,5-f]quinoline.
What is the SMILES notation for 2-azido-4-methyl-3-(trideuteriomethyl)imidazo[4,5-f]quinoline?
The canonical SMILES for 2-azido-4-methyl-3-(trideuteriomethyl)imidazo[4,5-f]quinoline is [2H]C([2H])([2H])n1c(N=[N+]=[N-])nc2c3cccnc3cc(C)c21.
What is the InChIKey of 2-azido-4-methyl-3-(trideuteriomethyl)imidazo[4,5-f]quinoline?
The InChIKey is GUYGDZSFLARRCN-BMSJAHLVSA-N. The full InChI is InChI=1S/C12H10N6/c1-7-6-9-8(4-3-5-14-9)10-11(7)18(2)12(15-10)16-17-13/h3-6H,1-2H3/i2D3.
What are the key properties of 2-azido-4-methyl-3-(trideuteriomethyl)imidazo[4,5-f]quinoline?
2-azido-4-methyl-3-(trideuteriomethyl)imidazo[4,5-f]quinoline has a molecular weight of 241.27 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-4-methyl-3-(trideuteriomethyl)imidazo[4,5-f]quinoline is sourced from PubChem (CID 46780531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).