8-methoxytetrazolo[1,5-a]quinoline-4-carbaldehyde

C11H8N4O2 — CID 11390537

IUPAC8-methoxytetrazolo[1,5-a]quinoline-4-carbaldehyde
SMILESCOc1ccc2cc(C=O)c3nnnn3c2c1
InChIInChI=1S/C11H8N4O2/c1-17-9-3-2-7-4-8(6-16)11-12-13-14-15(11)10(7)5-9/h2-6H,1H3
InChIKeyBGBWNDUMVSMUIY-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.10
Rot. Bonds2

About 8-methoxytetrazolo[1,5-a]quinoline-4-carbaldehyde

8-methoxytetrazolo[1,5-a]quinoline-4-carbaldehyde (PubChem CID 11390537) has the molecular formula C11H8N4O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 8-methoxytetrazolo[1,5-a]quinoline-4-carbaldehyde.

Molecular Properties

Compound Name8-methoxytetrazolo[1,5-a]quinoline-4-carbaldehyde
PubChem CID11390537
Molecular FormulaC11H8N4O2
Molecular Weight228.21 g/mol
Exact Mass228.06
IUPAC Name8-methoxytetrazolo[1,5-a]quinoline-4-carbaldehyde
SMILESCOc1ccc2cc(C=O)c3nnnn3c2c1
InChIInChI=1S/C11H8N4O2/c1-17-9-3-2-7-4-8(6-16)11-12-13-14-15(11)10(7)5-9/h2-6H,1H3
InChIKeyBGBWNDUMVSMUIY-UHFFFAOYSA-N
XLogP1.10
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methoxytetrazolo[1,5-a]quinoline-4-carbaldehyde?
The IUPAC name of 8-methoxytetrazolo[1,5-a]quinoline-4-carbaldehyde (CID 11390537) is 8-methoxytetrazolo[1,5-a]quinoline-4-carbaldehyde.
What is the SMILES notation for 8-methoxytetrazolo[1,5-a]quinoline-4-carbaldehyde?
The canonical SMILES for 8-methoxytetrazolo[1,5-a]quinoline-4-carbaldehyde is COc1ccc2cc(C=O)c3nnnn3c2c1.
What is the InChIKey of 8-methoxytetrazolo[1,5-a]quinoline-4-carbaldehyde?
The InChIKey is BGBWNDUMVSMUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2/c1-17-9-3-2-7-4-8(6-16)11-12-13-14-15(11)10(7)5-9/h2-6H,1H3.
What are the key properties of 8-methoxytetrazolo[1,5-a]quinoline-4-carbaldehyde?
8-methoxytetrazolo[1,5-a]quinoline-4-carbaldehyde has a molecular weight of 228.21 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxytetrazolo[1,5-a]quinoline-4-carbaldehyde is sourced from PubChem (CID 11390537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).