8-azido-6-methyl-[1,3]dioxolo[4,5-g]quinoline

C11H8N4O2 — CID 3584202

IUPAC8-azido-6-methyl-[1,3]dioxolo[4,5-g]quinoline
SMILESCc1cc(N=[N+]=[N-])c2cc3c(cc2n1)OCO3
InChIInChI=1S/C11H8N4O2/c1-6-2-9(14-15-12)7-3-10-11(17-5-16-10)4-8(7)13-6/h2-4H,5H2,1H3
InChIKeyPHXLKYMEDNPPIJ-UHFFFAOYSA-N
MW228.21 g/mol
LogP3.21
Rot. Bonds1

About 8-azido-6-methyl-[1,3]dioxolo[4,5-g]quinoline

8-azido-6-methyl-[1,3]dioxolo[4,5-g]quinoline (PubChem CID 3584202) has the molecular formula C11H8N4O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 8-azido-6-methyl-[1,3]dioxolo[4,5-g]quinoline.

Molecular Properties

Compound Name8-azido-6-methyl-[1,3]dioxolo[4,5-g]quinoline
PubChem CID3584202
Molecular FormulaC11H8N4O2
Molecular Weight228.21 g/mol
Exact Mass228.06
IUPAC Name8-azido-6-methyl-[1,3]dioxolo[4,5-g]quinoline
SMILESCc1cc(N=[N+]=[N-])c2cc3c(cc2n1)OCO3
InChIInChI=1S/C11H8N4O2/c1-6-2-9(14-15-12)7-3-10-11(17-5-16-10)4-8(7)13-6/h2-4H,5H2,1H3
InChIKeyPHXLKYMEDNPPIJ-UHFFFAOYSA-N
XLogP3.21
TPSA80.11 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 53.21
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 8-azido-6-methyl-[1,3]dioxolo[4,5-g]quinoline?
The IUPAC name of 8-azido-6-methyl-[1,3]dioxolo[4,5-g]quinoline (CID 3584202) is 8-azido-6-methyl-[1,3]dioxolo[4,5-g]quinoline.
What is the SMILES notation for 8-azido-6-methyl-[1,3]dioxolo[4,5-g]quinoline?
The canonical SMILES for 8-azido-6-methyl-[1,3]dioxolo[4,5-g]quinoline is Cc1cc(N=[N+]=[N-])c2cc3c(cc2n1)OCO3.
What is the InChIKey of 8-azido-6-methyl-[1,3]dioxolo[4,5-g]quinoline?
The InChIKey is PHXLKYMEDNPPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2/c1-6-2-9(14-15-12)7-3-10-11(17-5-16-10)4-8(7)13-6/h2-4H,5H2,1H3.
What are the key properties of 8-azido-6-methyl-[1,3]dioxolo[4,5-g]quinoline?
8-azido-6-methyl-[1,3]dioxolo[4,5-g]quinoline has a molecular weight of 228.21 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azido-6-methyl-[1,3]dioxolo[4,5-g]quinoline is sourced from PubChem (CID 3584202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).