6-azido-4-(2-methylpropyl)quinoline

C13H14N4 — CID 170001528

IUPAC6-azido-4-(2-methylpropyl)quinoline
SMILESCC(C)Cc1ccnc2ccc(N=[N+]=[N-])cc12
InChIInChI=1S/C13H14N4/c1-9(2)7-10-5-6-15-13-4-3-11(16-17-14)8-12(10)13/h3-6,8-9H,7H2,1-2H3
InChIKeyJZZNWSHPVZQJNS-UHFFFAOYSA-N
MW226.28 g/mol
LogP4.38
Rot. Bonds3

About 6-azido-4-(2-methylpropyl)quinoline

6-azido-4-(2-methylpropyl)quinoline (PubChem CID 170001528) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 6-azido-4-(2-methylpropyl)quinoline.

Molecular Properties

Compound Name6-azido-4-(2-methylpropyl)quinoline
PubChem CID170001528
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name6-azido-4-(2-methylpropyl)quinoline
SMILESCC(C)Cc1ccnc2ccc(N=[N+]=[N-])cc12
InChIInChI=1S/C13H14N4/c1-9(2)7-10-5-6-15-13-4-3-11(16-17-14)8-12(10)13/h3-6,8-9H,7H2,1-2H3
InChIKeyJZZNWSHPVZQJNS-UHFFFAOYSA-N
XLogP4.38
TPSA61.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 54.38
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-azido-4-(2-methylpropyl)quinoline?
The IUPAC name of 6-azido-4-(2-methylpropyl)quinoline (CID 170001528) is 6-azido-4-(2-methylpropyl)quinoline.
What is the SMILES notation for 6-azido-4-(2-methylpropyl)quinoline?
The canonical SMILES for 6-azido-4-(2-methylpropyl)quinoline is CC(C)Cc1ccnc2ccc(N=[N+]=[N-])cc12.
What is the InChIKey of 6-azido-4-(2-methylpropyl)quinoline?
The InChIKey is JZZNWSHPVZQJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-9(2)7-10-5-6-15-13-4-3-11(16-17-14)8-12(10)13/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 6-azido-4-(2-methylpropyl)quinoline?
6-azido-4-(2-methylpropyl)quinoline has a molecular weight of 226.28 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-azido-4-(2-methylpropyl)quinoline is sourced from PubChem (CID 170001528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).