4-(6-chloropyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one

C14H10ClN3O2 — CID 2458790

IUPAC4-(6-chloropyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2ccc(Cl)nc2)c2ccccc2N1
InChIInChI=1S/C14H10ClN3O2/c15-12-6-5-9(7-16-12)14(20)18-8-13(19)17-10-3-1-2-4-11(10)18/h1-7H,8H2,(H,17,19)
InChIKeyORDQLBPVTDBSTI-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.33
Rot. Bonds1

About 4-(6-chloropyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one

4-(6-chloropyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one (PubChem CID 2458790) has the molecular formula C14H10ClN3O2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 4-(6-chloropyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(6-chloropyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one
PubChem CID2458790
Molecular FormulaC14H10ClN3O2
Molecular Weight287.71 g/mol
Exact Mass287.05
IUPAC Name4-(6-chloropyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(C(=O)c2ccc(Cl)nc2)c2ccccc2N1
InChIInChI=1S/C14H10ClN3O2/c15-12-6-5-9(7-16-12)14(20)18-8-13(19)17-10-3-1-2-4-11(10)18/h1-7H,8H2,(H,17,19)
InChIKeyORDQLBPVTDBSTI-UHFFFAOYSA-N
XLogP2.33
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-(6-chloropyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(6-chloropyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one (CID 2458790) is 4-(6-chloropyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(6-chloropyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(6-chloropyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one is O=C1CN(C(=O)c2ccc(Cl)nc2)c2ccccc2N1.
What is the InChIKey of 4-(6-chloropyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is ORDQLBPVTDBSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O2/c15-12-6-5-9(7-16-12)14(20)18-8-13(19)17-10-3-1-2-4-11(10)18/h1-7H,8H2,(H,17,19).
What are the key properties of 4-(6-chloropyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one?
4-(6-chloropyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 287.71 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloropyridine-3-carbonyl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 2458790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).