4-(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-1-methyl-3H-quinoxalin-2-one

C15H12ClN3O3 — CID 75453060

IUPAC4-(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-1-methyl-3H-quinoxalin-2-one
SMILESCN1C(=O)CN(C(=O)c2cc(Cl)[nH]c(=O)c2)c2ccccc21
InChIInChI=1S/C15H12ClN3O3/c1-18-10-4-2-3-5-11(10)19(8-14(18)21)15(22)9-6-12(16)17-13(20)7-9/h2-7H,8H2,1H3,(H,17,20)
InChIKeyNGSMHHOITOKJHG-UHFFFAOYSA-N
MW317.73 g/mol
LogP1.65
Rot. Bonds1

About 4-(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-1-methyl-3H-quinoxalin-2-one

4-(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-1-methyl-3H-quinoxalin-2-one (PubChem CID 75453060) has the molecular formula C15H12ClN3O3 and a molecular weight of 317.73 g/mol. Its IUPAC name is 4-(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-1-methyl-3H-quinoxalin-2-one.

Molecular Properties

Compound Name4-(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-1-methyl-3H-quinoxalin-2-one
PubChem CID75453060
Molecular FormulaC15H12ClN3O3
Molecular Weight317.73 g/mol
Exact Mass317.06
IUPAC Name4-(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-1-methyl-3H-quinoxalin-2-one
SMILESCN1C(=O)CN(C(=O)c2cc(Cl)[nH]c(=O)c2)c2ccccc21
InChIInChI=1S/C15H12ClN3O3/c1-18-10-4-2-3-5-11(10)19(8-14(18)21)15(22)9-6-12(16)17-13(20)7-9/h2-7H,8H2,1H3,(H,17,20)
InChIKeyNGSMHHOITOKJHG-UHFFFAOYSA-N
XLogP1.65
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.73
LogP ≤ 51.65
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-(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-1-methyl-3H-quinoxalin-2-one?
The IUPAC name of 4-(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-1-methyl-3H-quinoxalin-2-one (CID 75453060) is 4-(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-1-methyl-3H-quinoxalin-2-one.
What is the SMILES notation for 4-(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-1-methyl-3H-quinoxalin-2-one?
The canonical SMILES for 4-(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-1-methyl-3H-quinoxalin-2-one is CN1C(=O)CN(C(=O)c2cc(Cl)[nH]c(=O)c2)c2ccccc21.
What is the InChIKey of 4-(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-1-methyl-3H-quinoxalin-2-one?
The InChIKey is NGSMHHOITOKJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O3/c1-18-10-4-2-3-5-11(10)19(8-14(18)21)15(22)9-6-12(16)17-13(20)7-9/h2-7H,8H2,1H3,(H,17,20).
What are the key properties of 4-(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-1-methyl-3H-quinoxalin-2-one?
4-(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-1-methyl-3H-quinoxalin-2-one has a molecular weight of 317.73 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-oxo-1H-pyridine-4-carbonyl)-1-methyl-3H-quinoxalin-2-one is sourced from PubChem (CID 75453060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).