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

C11H8N4O2 — CID 15472218

IUPAC7-methoxytetrazolo[1,5-a]quinoline-4-carbaldehyde
SMILESCOc1ccc2c(c1)cc(C=O)c1nnnn12
InChIInChI=1S/C11H8N4O2/c1-17-9-2-3-10-7(5-9)4-8(6-16)11-12-13-14-15(10)11/h2-6H,1H3
InChIKeyKDHHRSNVKBYSIX-UHFFFAOYSA-N
MW228.21 g/mol
LogP1.10
Rot. Bonds2

About 7-methoxytetrazolo[1,5-a]quinoline-4-carbaldehyde

7-methoxytetrazolo[1,5-a]quinoline-4-carbaldehyde (PubChem CID 15472218) has the molecular formula C11H8N4O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 7-methoxytetrazolo[1,5-a]quinoline-4-carbaldehyde.

Molecular Properties

Compound Name7-methoxytetrazolo[1,5-a]quinoline-4-carbaldehyde
PubChem CID15472218
Molecular FormulaC11H8N4O2
Molecular Weight228.21 g/mol
Exact Mass228.06
IUPAC Name7-methoxytetrazolo[1,5-a]quinoline-4-carbaldehyde
SMILESCOc1ccc2c(c1)cc(C=O)c1nnnn12
InChIInChI=1S/C11H8N4O2/c1-17-9-2-3-10-7(5-9)4-8(6-16)11-12-13-14-15(10)11/h2-6H,1H3
InChIKeyKDHHRSNVKBYSIX-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'}

Analyze 7-methoxytetrazolo[1,5-a]quinoline-4-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methoxytetrazolo[1,5-a]quinoline-4-carbaldehyde?
The IUPAC name of 7-methoxytetrazolo[1,5-a]quinoline-4-carbaldehyde (CID 15472218) is 7-methoxytetrazolo[1,5-a]quinoline-4-carbaldehyde.
What is the SMILES notation for 7-methoxytetrazolo[1,5-a]quinoline-4-carbaldehyde?
The canonical SMILES for 7-methoxytetrazolo[1,5-a]quinoline-4-carbaldehyde is COc1ccc2c(c1)cc(C=O)c1nnnn12.
What is the InChIKey of 7-methoxytetrazolo[1,5-a]quinoline-4-carbaldehyde?
The InChIKey is KDHHRSNVKBYSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O2/c1-17-9-2-3-10-7(5-9)4-8(6-16)11-12-13-14-15(10)11/h2-6H,1H3.
What are the key properties of 7-methoxytetrazolo[1,5-a]quinoline-4-carbaldehyde?
7-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 7-methoxytetrazolo[1,5-a]quinoline-4-carbaldehyde is sourced from PubChem (CID 15472218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).