3-(azidomethyl)-7-fluoro-3H-quinolin-2-one

C10H7FN4O — CID 178188863

IUPAC3-(azidomethyl)-7-fluoro-3H-quinolin-2-one
SMILES[N-]=[N+]=NCC1C=c2ccc(F)cc2=NC1=O
InChIInChI=1S/C10H7FN4O/c11-8-2-1-6-3-7(5-13-15-12)10(16)14-9(6)4-8/h1-4,7H,5H2
InChIKeyYELLPWNDFUXHNE-UHFFFAOYSA-N
MW218.19 g/mol
LogP0.69
Rot. Bonds2

About 3-(azidomethyl)-7-fluoro-3H-quinolin-2-one

3-(azidomethyl)-7-fluoro-3H-quinolin-2-one (PubChem CID 178188863) has the molecular formula C10H7FN4O and a molecular weight of 218.19 g/mol. Its IUPAC name is 3-(azidomethyl)-7-fluoro-3H-quinolin-2-one.

Molecular Properties

Compound Name3-(azidomethyl)-7-fluoro-3H-quinolin-2-one
PubChem CID178188863
Molecular FormulaC10H7FN4O
Molecular Weight218.19 g/mol
Exact Mass218.06
IUPAC Name3-(azidomethyl)-7-fluoro-3H-quinolin-2-one
SMILES[N-]=[N+]=NCC1C=c2ccc(F)cc2=NC1=O
InChIInChI=1S/C10H7FN4O/c11-8-2-1-6-3-7(5-13-15-12)10(16)14-9(6)4-8/h1-4,7H,5H2
InChIKeyYELLPWNDFUXHNE-UHFFFAOYSA-N
XLogP0.69
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.19
LogP ≤ 50.69
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

[1,2,3]Triazolo[4,5-c]quinolone
CID 141504568
2,3-difluoro-2H-quinoline-3-carboxamide
CID 141386751
3-fluoro-2H-quinoline-3-carboxamide
CID 163446550
3-(aminomethyl)-7-fluoro-3H-quinolin-2-one
CID 74251623
3-Diazoquinolin-2-one
CID 141194492
3-(aminomethyl)-7-fluoro-3H-quinolin-2-one;hydrochloride
CID 137698478

Frequently Asked Questions

What is the IUPAC name of 3-(azidomethyl)-7-fluoro-3H-quinolin-2-one?
The IUPAC name of 3-(azidomethyl)-7-fluoro-3H-quinolin-2-one (CID 178188863) is 3-(azidomethyl)-7-fluoro-3H-quinolin-2-one.
What is the SMILES notation for 3-(azidomethyl)-7-fluoro-3H-quinolin-2-one?
The canonical SMILES for 3-(azidomethyl)-7-fluoro-3H-quinolin-2-one is [N-]=[N+]=NCC1C=c2ccc(F)cc2=NC1=O.
What is the InChIKey of 3-(azidomethyl)-7-fluoro-3H-quinolin-2-one?
The InChIKey is YELLPWNDFUXHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN4O/c11-8-2-1-6-3-7(5-13-15-12)10(16)14-9(6)4-8/h1-4,7H,5H2.
What are the key properties of 3-(azidomethyl)-7-fluoro-3H-quinolin-2-one?
3-(azidomethyl)-7-fluoro-3H-quinolin-2-one has a molecular weight of 218.19 g/mol, XLogP of 0.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azidomethyl)-7-fluoro-3H-quinolin-2-one is sourced from PubChem (CID 178188863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).