5-azidoquinoline-3-carboxylic acid

C10H6N4O2 — CID 169326504

IUPAC5-azidoquinoline-3-carboxylic acid
SMILES[N-]=[N+]=Nc1cccc2ncc(C(=O)O)cc12
InChIInChI=1S/C10H6N4O2/c11-14-13-9-3-1-2-8-7(9)4-6(5-12-8)10(15)16/h1-5H,(H,15,16)
InChIKeyGVBHJIMKDCZVQV-UHFFFAOYSA-N
MW214.18 g/mol
LogP2.87
Rot. Bonds2

About 5-azidoquinoline-3-carboxylic acid

5-azidoquinoline-3-carboxylic acid (PubChem CID 169326504) has the molecular formula C10H6N4O2 and a molecular weight of 214.18 g/mol. Its IUPAC name is 5-azidoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name5-azidoquinoline-3-carboxylic acid
PubChem CID169326504
Molecular FormulaC10H6N4O2
Molecular Weight214.18 g/mol
Exact Mass214.05
IUPAC Name5-azidoquinoline-3-carboxylic acid
SMILES[N-]=[N+]=Nc1cccc2ncc(C(=O)O)cc12
InChIInChI=1S/C10H6N4O2/c11-14-13-9-3-1-2-8-7(9)4-6(5-12-8)10(15)16/h1-5H,(H,15,16)
InChIKeyGVBHJIMKDCZVQV-UHFFFAOYSA-N
XLogP2.87
TPSA98.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-azidoquinoline-3-carboxylic acid?
The IUPAC name of 5-azidoquinoline-3-carboxylic acid (CID 169326504) is 5-azidoquinoline-3-carboxylic acid.
What is the SMILES notation for 5-azidoquinoline-3-carboxylic acid?
The canonical SMILES for 5-azidoquinoline-3-carboxylic acid is [N-]=[N+]=Nc1cccc2ncc(C(=O)O)cc12.
What is the InChIKey of 5-azidoquinoline-3-carboxylic acid?
The InChIKey is GVBHJIMKDCZVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O2/c11-14-13-9-3-1-2-8-7(9)4-6(5-12-8)10(15)16/h1-5H,(H,15,16).
What are the key properties of 5-azidoquinoline-3-carboxylic acid?
5-azidoquinoline-3-carboxylic acid has a molecular weight of 214.18 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-azidoquinoline-3-carboxylic acid is sourced from PubChem (CID 169326504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).