8-chloro-5-methoxy-2-oxo-1H-quinoline-4-carbaldehyde

C11H8ClNO3 — CID 46942114

IUPAC8-chloro-5-methoxy-2-oxo-1H-quinoline-4-carbaldehyde
SMILESCOc1ccc(Cl)c2[nH]c(=O)cc(C=O)c12
InChIInChI=1S/C11H8ClNO3/c1-16-8-3-2-7(12)11-10(8)6(5-14)4-9(15)13-11/h2-5H,1H3,(H,13,15)
InChIKeyJRCCOXHPOHPQFN-UHFFFAOYSA-N
MW237.64 g/mol
LogP2.00
Rot. Bonds2

About 8-chloro-5-methoxy-2-oxo-1H-quinoline-4-carbaldehyde

8-chloro-5-methoxy-2-oxo-1H-quinoline-4-carbaldehyde (PubChem CID 46942114) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is 8-chloro-5-methoxy-2-oxo-1H-quinoline-4-carbaldehyde.

Molecular Properties

Compound Name8-chloro-5-methoxy-2-oxo-1H-quinoline-4-carbaldehyde
PubChem CID46942114
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Name8-chloro-5-methoxy-2-oxo-1H-quinoline-4-carbaldehyde
SMILESCOc1ccc(Cl)c2[nH]c(=O)cc(C=O)c12
InChIInChI=1S/C11H8ClNO3/c1-16-8-3-2-7(12)11-10(8)6(5-14)4-9(15)13-11/h2-5H,1H3,(H,13,15)
InChIKeyJRCCOXHPOHPQFN-UHFFFAOYSA-N
XLogP2.00
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 52.00
H-Bond Donors ≤ 51
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 8-chloro-5-methoxy-2-oxo-1H-quinoline-4-carbaldehyde?
The IUPAC name of 8-chloro-5-methoxy-2-oxo-1H-quinoline-4-carbaldehyde (CID 46942114) is 8-chloro-5-methoxy-2-oxo-1H-quinoline-4-carbaldehyde.
What is the SMILES notation for 8-chloro-5-methoxy-2-oxo-1H-quinoline-4-carbaldehyde?
The canonical SMILES for 8-chloro-5-methoxy-2-oxo-1H-quinoline-4-carbaldehyde is COc1ccc(Cl)c2[nH]c(=O)cc(C=O)c12.
What is the InChIKey of 8-chloro-5-methoxy-2-oxo-1H-quinoline-4-carbaldehyde?
The InChIKey is JRCCOXHPOHPQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3/c1-16-8-3-2-7(12)11-10(8)6(5-14)4-9(15)13-11/h2-5H,1H3,(H,13,15).
What are the key properties of 8-chloro-5-methoxy-2-oxo-1H-quinoline-4-carbaldehyde?
8-chloro-5-methoxy-2-oxo-1H-quinoline-4-carbaldehyde has a molecular weight of 237.64 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-methoxy-2-oxo-1H-quinoline-4-carbaldehyde is sourced from PubChem (CID 46942114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).