benzo[f]quinoline-3-carbaldehyde

C14H9NO — CID 102020467

IUPACbenzo[f]quinoline-3-carbaldehyde
SMILESO=Cc1ccc2c(ccc3ccccc32)n1
InChIInChI=1S/C14H9NO/c16-9-11-6-7-13-12-4-2-1-3-10(12)5-8-14(13)15-11/h1-9H
InChIKeyNKGBOFHITODWIY-UHFFFAOYSA-N
MW207.23 g/mol
LogP3.20
Rot. Bonds1

About benzo[f]quinoline-3-carbaldehyde

benzo[f]quinoline-3-carbaldehyde (PubChem CID 102020467) has the molecular formula C14H9NO and a molecular weight of 207.23 g/mol. Its IUPAC name is benzo[f]quinoline-3-carbaldehyde.

Molecular Properties

Compound Namebenzo[f]quinoline-3-carbaldehyde
PubChem CID102020467
Molecular FormulaC14H9NO
Molecular Weight207.23 g/mol
Exact Mass207.07
IUPAC Namebenzo[f]quinoline-3-carbaldehyde
SMILESO=Cc1ccc2c(ccc3ccccc32)n1
InChIInChI=1S/C14H9NO/c16-9-11-6-7-13-12-4-2-1-3-10(12)5-8-14(13)15-11/h1-9H
InChIKeyNKGBOFHITODWIY-UHFFFAOYSA-N
XLogP3.20
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzo[f]quinoline-3-carbaldehyde?
The IUPAC name of benzo[f]quinoline-3-carbaldehyde (CID 102020467) is benzo[f]quinoline-3-carbaldehyde.
What is the SMILES notation for benzo[f]quinoline-3-carbaldehyde?
The canonical SMILES for benzo[f]quinoline-3-carbaldehyde is O=Cc1ccc2c(ccc3ccccc32)n1.
What is the InChIKey of benzo[f]quinoline-3-carbaldehyde?
The InChIKey is NKGBOFHITODWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO/c16-9-11-6-7-13-12-4-2-1-3-10(12)5-8-14(13)15-11/h1-9H.
What are the key properties of benzo[f]quinoline-3-carbaldehyde?
benzo[f]quinoline-3-carbaldehyde has a molecular weight of 207.23 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[f]quinoline-3-carbaldehyde is sourced from PubChem (CID 102020467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).