4-chloro-2-oxo-1H-quinoline-3-carbaldehyde

C10H6ClNO2 — CID 2785122

IUPAC4-chloro-2-oxo-1H-quinoline-3-carbaldehyde
SMILESO=Cc1c(Cl)c2ccccc2[nH]c1=O
InChIInChI=1S/C10H6ClNO2/c11-9-6-3-1-2-4-8(6)12-10(14)7(9)5-13/h1-5H,(H,12,14)
InChIKeyYOPNXXIYWLPSPA-UHFFFAOYSA-N
MW207.62 g/mol
LogP1.99
Rot. Bonds1

About 4-chloro-2-oxo-1H-quinoline-3-carbaldehyde

4-chloro-2-oxo-1H-quinoline-3-carbaldehyde (PubChem CID 2785122) has the molecular formula C10H6ClNO2 and a molecular weight of 207.62 g/mol. Its IUPAC name is 4-chloro-2-oxo-1H-quinoline-3-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2-oxo-1H-quinoline-3-carbaldehyde
PubChem CID2785122
Molecular FormulaC10H6ClNO2
Molecular Weight207.62 g/mol
Exact Mass207.01
IUPAC Name4-chloro-2-oxo-1H-quinoline-3-carbaldehyde
SMILESO=Cc1c(Cl)c2ccccc2[nH]c1=O
InChIInChI=1S/C10H6ClNO2/c11-9-6-3-1-2-4-8(6)12-10(14)7(9)5-13/h1-5H,(H,12,14)
InChIKeyYOPNXXIYWLPSPA-UHFFFAOYSA-N
XLogP1.99
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.62
LogP ≤ 51.99
H-Bond Donors ≤ 51
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-chloro-2-oxo-1H-quinoline-3-carbaldehyde?
The IUPAC name of 4-chloro-2-oxo-1H-quinoline-3-carbaldehyde (CID 2785122) is 4-chloro-2-oxo-1H-quinoline-3-carbaldehyde.
What is the SMILES notation for 4-chloro-2-oxo-1H-quinoline-3-carbaldehyde?
The canonical SMILES for 4-chloro-2-oxo-1H-quinoline-3-carbaldehyde is O=Cc1c(Cl)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-chloro-2-oxo-1H-quinoline-3-carbaldehyde?
The InChIKey is YOPNXXIYWLPSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO2/c11-9-6-3-1-2-4-8(6)12-10(14)7(9)5-13/h1-5H,(H,12,14).
What are the key properties of 4-chloro-2-oxo-1H-quinoline-3-carbaldehyde?
4-chloro-2-oxo-1H-quinoline-3-carbaldehyde has a molecular weight of 207.62 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-oxo-1H-quinoline-3-carbaldehyde is sourced from PubChem (CID 2785122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).