4-azido-5,8-dimethoxyquinoline

C11H10N4O2 — CID 11791017

IUPAC4-azido-5,8-dimethoxyquinoline
SMILESCOc1ccc(OC)c2c(N=[N+]=[N-])ccnc12
InChIInChI=1S/C11H10N4O2/c1-16-8-3-4-9(17-2)11-10(8)7(14-15-12)5-6-13-11/h3-6H,1-2H3
InChIKeyZUJUXNIRAKFYCX-UHFFFAOYSA-N
MW230.23 g/mol
LogP3.19
Rot. Bonds3

About 4-azido-5,8-dimethoxyquinoline

4-azido-5,8-dimethoxyquinoline (PubChem CID 11791017) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 4-azido-5,8-dimethoxyquinoline.

Molecular Properties

Compound Name4-azido-5,8-dimethoxyquinoline
PubChem CID11791017
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name4-azido-5,8-dimethoxyquinoline
SMILESCOc1ccc(OC)c2c(N=[N+]=[N-])ccnc12
InChIInChI=1S/C11H10N4O2/c1-16-8-3-4-9(17-2)11-10(8)7(14-15-12)5-6-13-11/h3-6H,1-2H3
InChIKeyZUJUXNIRAKFYCX-UHFFFAOYSA-N
XLogP3.19
TPSA80.11 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-azido-5,8-dimethoxyquinoline?
The IUPAC name of 4-azido-5,8-dimethoxyquinoline (CID 11791017) is 4-azido-5,8-dimethoxyquinoline.
What is the SMILES notation for 4-azido-5,8-dimethoxyquinoline?
The canonical SMILES for 4-azido-5,8-dimethoxyquinoline is COc1ccc(OC)c2c(N=[N+]=[N-])ccnc12.
What is the InChIKey of 4-azido-5,8-dimethoxyquinoline?
The InChIKey is ZUJUXNIRAKFYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c1-16-8-3-4-9(17-2)11-10(8)7(14-15-12)5-6-13-11/h3-6H,1-2H3.
What are the key properties of 4-azido-5,8-dimethoxyquinoline?
4-azido-5,8-dimethoxyquinoline has a molecular weight of 230.23 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-5,8-dimethoxyquinoline is sourced from PubChem (CID 11791017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).