3-(azidomethyl)-7-fluoro-1-(2-fluorophenyl)-2H-quinoline

C16H12F2N4 — CID 141352873

IUPAC3-(azidomethyl)-7-fluoro-1-(2-fluorophenyl)-2H-quinoline
SMILES[N-]=[N+]=NCC1=Cc2ccc(F)cc2N(c2ccccc2F)C1
InChIInChI=1S/C16H12F2N4/c17-13-6-5-12-7-11(9-20-21-19)10-22(16(12)8-13)15-4-2-1-3-14(15)18/h1-8H,9-10H2
InChIKeyQJYVNOSINPTKOO-UHFFFAOYSA-N
MW298.30 g/mol
LogP4.81
Rot. Bonds3

About 3-(azidomethyl)-7-fluoro-1-(2-fluorophenyl)-2H-quinoline

3-(azidomethyl)-7-fluoro-1-(2-fluorophenyl)-2H-quinoline (PubChem CID 141352873) has the molecular formula C16H12F2N4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 3-(azidomethyl)-7-fluoro-1-(2-fluorophenyl)-2H-quinoline.

Molecular Properties

Compound Name3-(azidomethyl)-7-fluoro-1-(2-fluorophenyl)-2H-quinoline
PubChem CID141352873
Molecular FormulaC16H12F2N4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name3-(azidomethyl)-7-fluoro-1-(2-fluorophenyl)-2H-quinoline
SMILES[N-]=[N+]=NCC1=Cc2ccc(F)cc2N(c2ccccc2F)C1
InChIInChI=1S/C16H12F2N4/c17-13-6-5-12-7-11(9-20-21-19)10-22(16(12)8-13)15-4-2-1-3-14(15)18/h1-8H,9-10H2
InChIKeyQJYVNOSINPTKOO-UHFFFAOYSA-N
XLogP4.81
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Related Compounds

sodium;3-(aminomethyl)-7-fluoro-1-(2-fluorophenyl)quinolin-4-one;3-(azidomethyl)-7-fluoro-1-(2-fluorophenyl)quinolin-4-one;azide
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Frequently Asked Questions

What is the IUPAC name of 3-(azidomethyl)-7-fluoro-1-(2-fluorophenyl)-2H-quinoline?
The IUPAC name of 3-(azidomethyl)-7-fluoro-1-(2-fluorophenyl)-2H-quinoline (CID 141352873) is 3-(azidomethyl)-7-fluoro-1-(2-fluorophenyl)-2H-quinoline.
What is the SMILES notation for 3-(azidomethyl)-7-fluoro-1-(2-fluorophenyl)-2H-quinoline?
The canonical SMILES for 3-(azidomethyl)-7-fluoro-1-(2-fluorophenyl)-2H-quinoline is [N-]=[N+]=NCC1=Cc2ccc(F)cc2N(c2ccccc2F)C1.
What is the InChIKey of 3-(azidomethyl)-7-fluoro-1-(2-fluorophenyl)-2H-quinoline?
The InChIKey is QJYVNOSINPTKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N4/c17-13-6-5-12-7-11(9-20-21-19)10-22(16(12)8-13)15-4-2-1-3-14(15)18/h1-8H,9-10H2.
What are the key properties of 3-(azidomethyl)-7-fluoro-1-(2-fluorophenyl)-2H-quinoline?
3-(azidomethyl)-7-fluoro-1-(2-fluorophenyl)-2H-quinoline has a molecular weight of 298.30 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)-7-fluoro-1-(2-fluorophenyl)-2H-quinoline is sourced from PubChem (CID 141352873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).