6-butoxyquinoline-4-carbaldehyde

C14H15NO2 — CID 178020180

IUPAC6-butoxyquinoline-4-carbaldehyde
SMILESCCCCOc1ccc2nccc(C=O)c2c1
InChIInChI=1S/C14H15NO2/c1-2-3-8-17-12-4-5-14-13(9-12)11(10-16)6-7-15-14/h4-7,9-10H,2-3,8H2,1H3
InChIKeyIUVDHZZRSPDQNX-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.23
Rot. Bonds5

About 6-butoxyquinoline-4-carbaldehyde

6-butoxyquinoline-4-carbaldehyde (PubChem CID 178020180) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-butoxyquinoline-4-carbaldehyde.

Molecular Properties

Compound Name6-butoxyquinoline-4-carbaldehyde
PubChem CID178020180
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name6-butoxyquinoline-4-carbaldehyde
SMILESCCCCOc1ccc2nccc(C=O)c2c1
InChIInChI=1S/C14H15NO2/c1-2-3-8-17-12-4-5-14-13(9-12)11(10-16)6-7-15-14/h4-7,9-10H,2-3,8H2,1H3
InChIKeyIUVDHZZRSPDQNX-UHFFFAOYSA-N
XLogP3.23
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-butoxyquinoline-4-carbaldehyde?
The IUPAC name of 6-butoxyquinoline-4-carbaldehyde (CID 178020180) is 6-butoxyquinoline-4-carbaldehyde.
What is the SMILES notation for 6-butoxyquinoline-4-carbaldehyde?
The canonical SMILES for 6-butoxyquinoline-4-carbaldehyde is CCCCOc1ccc2nccc(C=O)c2c1.
What is the InChIKey of 6-butoxyquinoline-4-carbaldehyde?
The InChIKey is IUVDHZZRSPDQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-2-3-8-17-12-4-5-14-13(9-12)11(10-16)6-7-15-14/h4-7,9-10H,2-3,8H2,1H3.
What are the key properties of 6-butoxyquinoline-4-carbaldehyde?
6-butoxyquinoline-4-carbaldehyde has a molecular weight of 229.28 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxyquinoline-4-carbaldehyde is sourced from PubChem (CID 178020180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).