6-(azidomethyl)-2-methylquinoline

C11H10N4 — CID 58081368

IUPAC6-(azidomethyl)-2-methylquinoline
SMILESCc1ccc2cc(CN=[N+]=[N-])ccc2n1
InChIInChI=1S/C11H10N4/c1-8-2-4-10-6-9(7-13-15-12)3-5-11(10)14-8/h2-6H,7H2,1H3
InChIKeyXWMXDGMPOBQOCU-UHFFFAOYSA-N
MW198.23 g/mol
LogP3.35
Rot. Bonds2

About 6-(azidomethyl)-2-methylquinoline

6-(azidomethyl)-2-methylquinoline (PubChem CID 58081368) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is 6-(azidomethyl)-2-methylquinoline.

Molecular Properties

Compound Name6-(azidomethyl)-2-methylquinoline
PubChem CID58081368
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC Name6-(azidomethyl)-2-methylquinoline
SMILESCc1ccc2cc(CN=[N+]=[N-])ccc2n1
InChIInChI=1S/C11H10N4/c1-8-2-4-10-6-9(7-13-15-12)3-5-11(10)14-8/h2-6H,7H2,1H3
InChIKeyXWMXDGMPOBQOCU-UHFFFAOYSA-N
XLogP3.35
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 53.35
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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Frequently Asked Questions

What is the IUPAC name of 6-(azidomethyl)-2-methylquinoline?
The IUPAC name of 6-(azidomethyl)-2-methylquinoline (CID 58081368) is 6-(azidomethyl)-2-methylquinoline.
What is the SMILES notation for 6-(azidomethyl)-2-methylquinoline?
The canonical SMILES for 6-(azidomethyl)-2-methylquinoline is Cc1ccc2cc(CN=[N+]=[N-])ccc2n1.
What is the InChIKey of 6-(azidomethyl)-2-methylquinoline?
The InChIKey is XWMXDGMPOBQOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4/c1-8-2-4-10-6-9(7-13-15-12)3-5-11(10)14-8/h2-6H,7H2,1H3.
What are the key properties of 6-(azidomethyl)-2-methylquinoline?
6-(azidomethyl)-2-methylquinoline has a molecular weight of 198.23 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azidomethyl)-2-methylquinoline is sourced from PubChem (CID 58081368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).