2-(3-azidophenyl)quinoline-4-carboxylic acid

C16H10N4O2 — CID 169325154

IUPAC2-(3-azidophenyl)quinoline-4-carboxylic acid
SMILES[N-]=[N+]=Nc1cccc(-c2cc(C(=O)O)c3ccccc3n2)c1
InChIInChI=1S/C16H10N4O2/c17-20-19-11-5-3-4-10(8-11)15-9-13(16(21)22)12-6-1-2-7-14(12)18-15/h1-9H,(H,21,22)
InChIKeyHKTIIASJSHIQBG-UHFFFAOYSA-N
MW290.28 g/mol
LogP4.54
Rot. Bonds3

About 2-(3-azidophenyl)quinoline-4-carboxylic acid

2-(3-azidophenyl)quinoline-4-carboxylic acid (PubChem CID 169325154) has the molecular formula C16H10N4O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-(3-azidophenyl)quinoline-4-carboxylic acid.

Molecular Properties

Compound Name2-(3-azidophenyl)quinoline-4-carboxylic acid
PubChem CID169325154
Molecular FormulaC16H10N4O2
Molecular Weight290.28 g/mol
Exact Mass290.08
IUPAC Name2-(3-azidophenyl)quinoline-4-carboxylic acid
SMILES[N-]=[N+]=Nc1cccc(-c2cc(C(=O)O)c3ccccc3n2)c1
InChIInChI=1S/C16H10N4O2/c17-20-19-11-5-3-4-10(8-11)15-9-13(16(21)22)12-6-1-2-7-14(12)18-15/h1-9H,(H,21,22)
InChIKeyHKTIIASJSHIQBG-UHFFFAOYSA-N
XLogP4.54
TPSA98.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 54.54
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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Related Compounds

europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
methyl 2-(4-azidophenyl)quinoline-4-carboxylate
CID 169325072
bis(cyclopentane);bis(2-phenylquinoline-4-carboxylic acid);titanium(2+)
CID 135850214
bis(2-(4-carboxyquinolin-2-yl)quinoline-4-carboxylic acid);copper
CID 59873950
2-phenylquinoline-4-carboxylic acid;prop-1-ene
CID 143187114
2-(4-carboxyphenyl)quinoline-4-carboxylic acid
CID 57126411
2-(3,4-difluorophenyl)quinoline-4-carboxylic acid
CID 4611633
4-(4-carboxyquinolin-2-yl)phenolate
CID 135399143
CID 87530134
CID 87530134
4-(3-azidophenyl)-2-(trifluoromethyl)benzoic acid
CID 155436745
2-[3-(carbamothioylamino)phenyl]quinoline-4-carboxylic acid
CID 169357218

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidophenyl)quinoline-4-carboxylic acid?
The IUPAC name of 2-(3-azidophenyl)quinoline-4-carboxylic acid (CID 169325154) is 2-(3-azidophenyl)quinoline-4-carboxylic acid.
What is the SMILES notation for 2-(3-azidophenyl)quinoline-4-carboxylic acid?
The canonical SMILES for 2-(3-azidophenyl)quinoline-4-carboxylic acid is [N-]=[N+]=Nc1cccc(-c2cc(C(=O)O)c3ccccc3n2)c1.
What is the InChIKey of 2-(3-azidophenyl)quinoline-4-carboxylic acid?
The InChIKey is HKTIIASJSHIQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N4O2/c17-20-19-11-5-3-4-10(8-11)15-9-13(16(21)22)12-6-1-2-7-14(12)18-15/h1-9H,(H,21,22).
What are the key properties of 2-(3-azidophenyl)quinoline-4-carboxylic acid?
2-(3-azidophenyl)quinoline-4-carboxylic acid has a molecular weight of 290.28 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidophenyl)quinoline-4-carboxylic acid is sourced from PubChem (CID 169325154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).