9-methyltetrazolo[1,5-a]quinoline-4-carbaldehyde

C11H8N4O — CID 15472220

IUPAC9-methyltetrazolo[1,5-a]quinoline-4-carbaldehyde
SMILESCc1cccc2cc(C=O)c3nnnn3c12
InChIInChI=1S/C11H8N4O/c1-7-3-2-4-8-5-9(6-16)11-12-13-14-15(11)10(7)8/h2-6H,1H3
InChIKeyJOTLPPPJCLUKSZ-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.40
Rot. Bonds1

About 9-methyltetrazolo[1,5-a]quinoline-4-carbaldehyde

9-methyltetrazolo[1,5-a]quinoline-4-carbaldehyde (PubChem CID 15472220) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 9-methyltetrazolo[1,5-a]quinoline-4-carbaldehyde.

Molecular Properties

Compound Name9-methyltetrazolo[1,5-a]quinoline-4-carbaldehyde
PubChem CID15472220
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name9-methyltetrazolo[1,5-a]quinoline-4-carbaldehyde
SMILESCc1cccc2cc(C=O)c3nnnn3c12
InChIInChI=1S/C11H8N4O/c1-7-3-2-4-8-5-9(6-16)11-12-13-14-15(11)10(7)8/h2-6H,1H3
InChIKeyJOTLPPPJCLUKSZ-UHFFFAOYSA-N
XLogP1.40
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-methyltetrazolo[1,5-a]quinoline-4-carbaldehyde?
The IUPAC name of 9-methyltetrazolo[1,5-a]quinoline-4-carbaldehyde (CID 15472220) is 9-methyltetrazolo[1,5-a]quinoline-4-carbaldehyde.
What is the SMILES notation for 9-methyltetrazolo[1,5-a]quinoline-4-carbaldehyde?
The canonical SMILES for 9-methyltetrazolo[1,5-a]quinoline-4-carbaldehyde is Cc1cccc2cc(C=O)c3nnnn3c12.
What is the InChIKey of 9-methyltetrazolo[1,5-a]quinoline-4-carbaldehyde?
The InChIKey is JOTLPPPJCLUKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c1-7-3-2-4-8-5-9(6-16)11-12-13-14-15(11)10(7)8/h2-6H,1H3.
What are the key properties of 9-methyltetrazolo[1,5-a]quinoline-4-carbaldehyde?
9-methyltetrazolo[1,5-a]quinoline-4-carbaldehyde has a molecular weight of 212.21 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyltetrazolo[1,5-a]quinoline-4-carbaldehyde is sourced from PubChem (CID 15472220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).