6-(azidomethyl)-4-phenylmethoxyquinoline

C17H14N4O — CID 86003622

IUPAC6-(azidomethyl)-4-phenylmethoxyquinoline
SMILES[N-]=[N+]=NCc1ccc2nccc(OCc3ccccc3)c2c1
InChIInChI=1S/C17H14N4O/c18-21-20-11-14-6-7-16-15(10-14)17(8-9-19-16)22-12-13-4-2-1-3-5-13/h1-10H,11-12H2
InChIKeyUUVLVUFUTHDHSB-UHFFFAOYSA-N
MW290.33 g/mol
LogP4.62
Rot. Bonds5

About 6-(azidomethyl)-4-phenylmethoxyquinoline

6-(azidomethyl)-4-phenylmethoxyquinoline (PubChem CID 86003622) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 6-(azidomethyl)-4-phenylmethoxyquinoline.

Molecular Properties

Compound Name6-(azidomethyl)-4-phenylmethoxyquinoline
PubChem CID86003622
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name6-(azidomethyl)-4-phenylmethoxyquinoline
SMILES[N-]=[N+]=NCc1ccc2nccc(OCc3ccccc3)c2c1
InChIInChI=1S/C17H14N4O/c18-21-20-11-14-6-7-16-15(10-14)17(8-9-19-16)22-12-13-4-2-1-3-5-13/h1-10H,11-12H2
InChIKeyUUVLVUFUTHDHSB-UHFFFAOYSA-N
XLogP4.62
TPSA70.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 54.62
H-Bond Donors ≤ 50
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 6-(azidomethyl)-4-phenylmethoxyquinoline?
The IUPAC name of 6-(azidomethyl)-4-phenylmethoxyquinoline (CID 86003622) is 6-(azidomethyl)-4-phenylmethoxyquinoline.
What is the SMILES notation for 6-(azidomethyl)-4-phenylmethoxyquinoline?
The canonical SMILES for 6-(azidomethyl)-4-phenylmethoxyquinoline is [N-]=[N+]=NCc1ccc2nccc(OCc3ccccc3)c2c1.
What is the InChIKey of 6-(azidomethyl)-4-phenylmethoxyquinoline?
The InChIKey is UUVLVUFUTHDHSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c18-21-20-11-14-6-7-16-15(10-14)17(8-9-19-16)22-12-13-4-2-1-3-5-13/h1-10H,11-12H2.
What are the key properties of 6-(azidomethyl)-4-phenylmethoxyquinoline?
6-(azidomethyl)-4-phenylmethoxyquinoline has a molecular weight of 290.33 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azidomethyl)-4-phenylmethoxyquinoline is sourced from PubChem (CID 86003622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).