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

C11H8N4O — CID 15472219

IUPAC7-methyltetrazolo[1,5-a]quinoline-4-carbaldehyde
SMILESCc1ccc2c(c1)cc(C=O)c1nnnn12
InChIInChI=1S/C11H8N4O/c1-7-2-3-10-8(4-7)5-9(6-16)11-12-13-14-15(10)11/h2-6H,1H3
InChIKeyWUOCICMMELPZKA-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.40
Rot. Bonds1

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

7-methyltetrazolo[1,5-a]quinoline-4-carbaldehyde (PubChem CID 15472219) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 7-methyltetrazolo[1,5-a]quinoline-4-carbaldehyde.

Molecular Properties

Compound Name7-methyltetrazolo[1,5-a]quinoline-4-carbaldehyde
PubChem CID15472219
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name7-methyltetrazolo[1,5-a]quinoline-4-carbaldehyde
SMILESCc1ccc2c(c1)cc(C=O)c1nnnn12
InChIInChI=1S/C11H8N4O/c1-7-2-3-10-8(4-7)5-9(6-16)11-12-13-14-15(10)11/h2-6H,1H3
InChIKeyWUOCICMMELPZKA-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 7-methyltetrazolo[1,5-a]quinoline-4-carbaldehyde?
The IUPAC name of 7-methyltetrazolo[1,5-a]quinoline-4-carbaldehyde (CID 15472219) is 7-methyltetrazolo[1,5-a]quinoline-4-carbaldehyde.
What is the SMILES notation for 7-methyltetrazolo[1,5-a]quinoline-4-carbaldehyde?
The canonical SMILES for 7-methyltetrazolo[1,5-a]quinoline-4-carbaldehyde is Cc1ccc2c(c1)cc(C=O)c1nnnn12.
What is the InChIKey of 7-methyltetrazolo[1,5-a]quinoline-4-carbaldehyde?
The InChIKey is WUOCICMMELPZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c1-7-2-3-10-8(4-7)5-9(6-16)11-12-13-14-15(10)11/h2-6H,1H3.
What are the key properties of 7-methyltetrazolo[1,5-a]quinoline-4-carbaldehyde?
7-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 7-methyltetrazolo[1,5-a]quinoline-4-carbaldehyde is sourced from PubChem (CID 15472219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).