tetrazolo[1,5-a]quinoline-9-carbaldehyde

C10H6N4O — CID 96621179

IUPACtetrazolo[1,5-a]quinoline-9-carbaldehyde
SMILESO=Cc1cccc2ccc3nnnn3c12
InChIInChI=1S/C10H6N4O/c15-6-8-3-1-2-7-4-5-9-11-12-13-14(9)10(7)8/h1-6H
InChIKeyACYACIOPFXCZDW-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.09
Rot. Bonds1

About tetrazolo[1,5-a]quinoline-9-carbaldehyde

tetrazolo[1,5-a]quinoline-9-carbaldehyde (PubChem CID 96621179) has the molecular formula C10H6N4O and a molecular weight of 198.19 g/mol. Its IUPAC name is tetrazolo[1,5-a]quinoline-9-carbaldehyde.

Molecular Properties

Compound Nametetrazolo[1,5-a]quinoline-9-carbaldehyde
PubChem CID96621179
Molecular FormulaC10H6N4O
Molecular Weight198.19 g/mol
Exact Mass198.05
IUPAC Nametetrazolo[1,5-a]quinoline-9-carbaldehyde
SMILESO=Cc1cccc2ccc3nnnn3c12
InChIInChI=1S/C10H6N4O/c15-6-8-3-1-2-7-4-5-9-11-12-13-14(9)10(7)8/h1-6H
InChIKeyACYACIOPFXCZDW-UHFFFAOYSA-N
XLogP1.09
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.09
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 tetrazolo[1,5-a]quinoline-9-carbaldehyde?
The IUPAC name of tetrazolo[1,5-a]quinoline-9-carbaldehyde (CID 96621179) is tetrazolo[1,5-a]quinoline-9-carbaldehyde.
What is the SMILES notation for tetrazolo[1,5-a]quinoline-9-carbaldehyde?
The canonical SMILES for tetrazolo[1,5-a]quinoline-9-carbaldehyde is O=Cc1cccc2ccc3nnnn3c12.
What is the InChIKey of tetrazolo[1,5-a]quinoline-9-carbaldehyde?
The InChIKey is ACYACIOPFXCZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N4O/c15-6-8-3-1-2-7-4-5-9-11-12-13-14(9)10(7)8/h1-6H.
What are the key properties of tetrazolo[1,5-a]quinoline-9-carbaldehyde?
tetrazolo[1,5-a]quinoline-9-carbaldehyde has a molecular weight of 198.19 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tetrazolo[1,5-a]quinoline-9-carbaldehyde is sourced from PubChem (CID 96621179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).