2,4-dichloroquinoline-3-carboxamide

C10H6Cl2N2O — CID 44522603

IUPAC2,4-dichloroquinoline-3-carboxamide
SMILESNC(=O)c1c(Cl)nc2ccccc2c1Cl
InChIInChI=1S/C10H6Cl2N2O/c11-8-5-3-1-2-4-6(5)14-9(12)7(8)10(13)15/h1-4H,(H2,13,15)
InChIKeyJVIIQSWAEYDXDH-UHFFFAOYSA-N
MW241.08 g/mol
LogP2.64
Rot. Bonds1

About 2,4-dichloroquinoline-3-carboxamide

2,4-dichloroquinoline-3-carboxamide (PubChem CID 44522603) has the molecular formula C10H6Cl2N2O and a molecular weight of 241.08 g/mol. Its IUPAC name is 2,4-dichloroquinoline-3-carboxamide.

Molecular Properties

Compound Name2,4-dichloroquinoline-3-carboxamide
PubChem CID44522603
Molecular FormulaC10H6Cl2N2O
Molecular Weight241.08 g/mol
Exact Mass239.99
IUPAC Name2,4-dichloroquinoline-3-carboxamide
SMILESNC(=O)c1c(Cl)nc2ccccc2c1Cl
InChIInChI=1S/C10H6Cl2N2O/c11-8-5-3-1-2-4-6(5)14-9(12)7(8)10(13)15/h1-4H,(H2,13,15)
InChIKeyJVIIQSWAEYDXDH-UHFFFAOYSA-N
XLogP2.64
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloroquinoline-3-carboxamide?
The IUPAC name of 2,4-dichloroquinoline-3-carboxamide (CID 44522603) is 2,4-dichloroquinoline-3-carboxamide.
What is the SMILES notation for 2,4-dichloroquinoline-3-carboxamide?
The canonical SMILES for 2,4-dichloroquinoline-3-carboxamide is NC(=O)c1c(Cl)nc2ccccc2c1Cl.
What is the InChIKey of 2,4-dichloroquinoline-3-carboxamide?
The InChIKey is JVIIQSWAEYDXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2O/c11-8-5-3-1-2-4-6(5)14-9(12)7(8)10(13)15/h1-4H,(H2,13,15).
What are the key properties of 2,4-dichloroquinoline-3-carboxamide?
2,4-dichloroquinoline-3-carboxamide has a molecular weight of 241.08 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloroquinoline-3-carboxamide is sourced from PubChem (CID 44522603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).