3-chloro-4-oxoquinolizine-1-carbaldehyde

C10H6ClNO2 — CID 82395533

IUPAC3-chloro-4-oxoquinolizine-1-carbaldehyde
SMILESO=Cc1cc(Cl)c(=O)n2ccccc12
InChIInChI=1S/C10H6ClNO2/c11-8-5-7(6-13)9-3-1-2-4-12(9)10(8)14/h1-6H
InChIKeyXOAPPEOHIQITIM-UHFFFAOYSA-N
MW207.62 g/mol
LogP1.77
Rot. Bonds1

About 3-chloro-4-oxoquinolizine-1-carbaldehyde

3-chloro-4-oxoquinolizine-1-carbaldehyde (PubChem CID 82395533) has the molecular formula C10H6ClNO2 and a molecular weight of 207.62 g/mol. Its IUPAC name is 3-chloro-4-oxoquinolizine-1-carbaldehyde.

Molecular Properties

Compound Name3-chloro-4-oxoquinolizine-1-carbaldehyde
PubChem CID82395533
Molecular FormulaC10H6ClNO2
Molecular Weight207.62 g/mol
Exact Mass207.01
IUPAC Name3-chloro-4-oxoquinolizine-1-carbaldehyde
SMILESO=Cc1cc(Cl)c(=O)n2ccccc12
InChIInChI=1S/C10H6ClNO2/c11-8-5-7(6-13)9-3-1-2-4-12(9)10(8)14/h1-6H
InChIKeyXOAPPEOHIQITIM-UHFFFAOYSA-N
XLogP1.77
TPSA38.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.62
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-oxoquinolizine-1-carbaldehyde?
The IUPAC name of 3-chloro-4-oxoquinolizine-1-carbaldehyde (CID 82395533) is 3-chloro-4-oxoquinolizine-1-carbaldehyde.
What is the SMILES notation for 3-chloro-4-oxoquinolizine-1-carbaldehyde?
The canonical SMILES for 3-chloro-4-oxoquinolizine-1-carbaldehyde is O=Cc1cc(Cl)c(=O)n2ccccc12.
What is the InChIKey of 3-chloro-4-oxoquinolizine-1-carbaldehyde?
The InChIKey is XOAPPEOHIQITIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO2/c11-8-5-7(6-13)9-3-1-2-4-12(9)10(8)14/h1-6H.
What are the key properties of 3-chloro-4-oxoquinolizine-1-carbaldehyde?
3-chloro-4-oxoquinolizine-1-carbaldehyde has a molecular weight of 207.62 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-oxoquinolizine-1-carbaldehyde is sourced from PubChem (CID 82395533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).