4-chloroquinoline-6-carbaldehyde

C10H6ClNO — CID 53417226

IUPAC4-chloroquinoline-6-carbaldehyde
SMILESO=Cc1ccc2nccc(Cl)c2c1
InChIInChI=1S/C10H6ClNO/c11-9-3-4-12-10-2-1-7(6-13)5-8(9)10/h1-6H
InChIKeyINLPDPKYJXJJMT-UHFFFAOYSA-N
MW191.62 g/mol
LogP2.70
Rot. Bonds1

About 4-chloroquinoline-6-carbaldehyde

4-chloroquinoline-6-carbaldehyde (PubChem CID 53417226) has the molecular formula C10H6ClNO and a molecular weight of 191.62 g/mol. Its IUPAC name is 4-chloroquinoline-6-carbaldehyde.

Molecular Properties

Compound Name4-chloroquinoline-6-carbaldehyde
PubChem CID53417226
Molecular FormulaC10H6ClNO
Molecular Weight191.62 g/mol
Exact Mass191.01
IUPAC Name4-chloroquinoline-6-carbaldehyde
SMILESO=Cc1ccc2nccc(Cl)c2c1
InChIInChI=1S/C10H6ClNO/c11-9-3-4-12-10-2-1-7(6-13)5-8(9)10/h1-6H
InChIKeyINLPDPKYJXJJMT-UHFFFAOYSA-N
XLogP2.70
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloroquinoline-6-carbaldehyde?
The IUPAC name of 4-chloroquinoline-6-carbaldehyde (CID 53417226) is 4-chloroquinoline-6-carbaldehyde.
What is the SMILES notation for 4-chloroquinoline-6-carbaldehyde?
The canonical SMILES for 4-chloroquinoline-6-carbaldehyde is O=Cc1ccc2nccc(Cl)c2c1.
What is the InChIKey of 4-chloroquinoline-6-carbaldehyde?
The InChIKey is INLPDPKYJXJJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO/c11-9-3-4-12-10-2-1-7(6-13)5-8(9)10/h1-6H.
What are the key properties of 4-chloroquinoline-6-carbaldehyde?
4-chloroquinoline-6-carbaldehyde has a molecular weight of 191.62 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloroquinoline-6-carbaldehyde is sourced from PubChem (CID 53417226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).