6,8-dichloro-3,4-dihydro-2H-quinoline-1-carbaldehyde

C10H9Cl2NO — CID 87825432

IUPAC6,8-dichloro-3,4-dihydro-2H-quinoline-1-carbaldehyde
SMILESO=CN1CCCc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C10H9Cl2NO/c11-8-4-7-2-1-3-13(6-14)10(7)9(12)5-8/h4-6H,1-3H2
InChIKeyOGRLGENGPUYEID-UHFFFAOYSA-N
MW230.09 g/mol
LogP2.90
Rot. Bonds1

About 6,8-dichloro-3,4-dihydro-2H-quinoline-1-carbaldehyde

6,8-dichloro-3,4-dihydro-2H-quinoline-1-carbaldehyde (PubChem CID 87825432) has the molecular formula C10H9Cl2NO and a molecular weight of 230.09 g/mol. Its IUPAC name is 6,8-dichloro-3,4-dihydro-2H-quinoline-1-carbaldehyde.

Molecular Properties

Compound Name6,8-dichloro-3,4-dihydro-2H-quinoline-1-carbaldehyde
PubChem CID87825432
Molecular FormulaC10H9Cl2NO
Molecular Weight230.09 g/mol
Exact Mass229.01
IUPAC Name6,8-dichloro-3,4-dihydro-2H-quinoline-1-carbaldehyde
SMILESO=CN1CCCc2cc(Cl)cc(Cl)c21
InChIInChI=1S/C10H9Cl2NO/c11-8-4-7-2-1-3-13(6-14)10(7)9(12)5-8/h4-6H,1-3H2
InChIKeyOGRLGENGPUYEID-UHFFFAOYSA-N
XLogP2.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-3,4-dihydro-2H-quinoline-1-carbaldehyde?
The IUPAC name of 6,8-dichloro-3,4-dihydro-2H-quinoline-1-carbaldehyde (CID 87825432) is 6,8-dichloro-3,4-dihydro-2H-quinoline-1-carbaldehyde.
What is the SMILES notation for 6,8-dichloro-3,4-dihydro-2H-quinoline-1-carbaldehyde?
The canonical SMILES for 6,8-dichloro-3,4-dihydro-2H-quinoline-1-carbaldehyde is O=CN1CCCc2cc(Cl)cc(Cl)c21.
What is the InChIKey of 6,8-dichloro-3,4-dihydro-2H-quinoline-1-carbaldehyde?
The InChIKey is OGRLGENGPUYEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2NO/c11-8-4-7-2-1-3-13(6-14)10(7)9(12)5-8/h4-6H,1-3H2.
What are the key properties of 6,8-dichloro-3,4-dihydro-2H-quinoline-1-carbaldehyde?
6,8-dichloro-3,4-dihydro-2H-quinoline-1-carbaldehyde has a molecular weight of 230.09 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-3,4-dihydro-2H-quinoline-1-carbaldehyde is sourced from PubChem (CID 87825432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).