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

C12H10N4O — CID 45276614

IUPAC9-ethyltetrazolo[1,5-a]quinoline-4-carbaldehyde
SMILESCCc1cccc2cc(C=O)c3nnnn3c12
InChIInChI=1S/C12H10N4O/c1-2-8-4-3-5-9-6-10(7-17)12-13-14-15-16(12)11(8)9/h3-7H,2H2,1H3
InChIKeyBGZKLNDNJFPQAI-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.65
Rot. Bonds2

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

9-ethyltetrazolo[1,5-a]quinoline-4-carbaldehyde (PubChem CID 45276614) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 9-ethyltetrazolo[1,5-a]quinoline-4-carbaldehyde.

Molecular Properties

Compound Name9-ethyltetrazolo[1,5-a]quinoline-4-carbaldehyde
PubChem CID45276614
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name9-ethyltetrazolo[1,5-a]quinoline-4-carbaldehyde
SMILESCCc1cccc2cc(C=O)c3nnnn3c12
InChIInChI=1S/C12H10N4O/c1-2-8-4-3-5-9-6-10(7-17)12-13-14-15-16(12)11(8)9/h3-7H,2H2,1H3
InChIKeyBGZKLNDNJFPQAI-UHFFFAOYSA-N
XLogP1.65
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.65
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-ethyltetrazolo[1,5-a]quinoline-4-carbaldehyde?
The IUPAC name of 9-ethyltetrazolo[1,5-a]quinoline-4-carbaldehyde (CID 45276614) is 9-ethyltetrazolo[1,5-a]quinoline-4-carbaldehyde.
What is the SMILES notation for 9-ethyltetrazolo[1,5-a]quinoline-4-carbaldehyde?
The canonical SMILES for 9-ethyltetrazolo[1,5-a]quinoline-4-carbaldehyde is CCc1cccc2cc(C=O)c3nnnn3c12.
What is the InChIKey of 9-ethyltetrazolo[1,5-a]quinoline-4-carbaldehyde?
The InChIKey is BGZKLNDNJFPQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-2-8-4-3-5-9-6-10(7-17)12-13-14-15-16(12)11(8)9/h3-7H,2H2,1H3.
What are the key properties of 9-ethyltetrazolo[1,5-a]quinoline-4-carbaldehyde?
9-ethyltetrazolo[1,5-a]quinoline-4-carbaldehyde has a molecular weight of 226.24 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyltetrazolo[1,5-a]quinoline-4-carbaldehyde is sourced from PubChem (CID 45276614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).