4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one

C12H9ClN4O2 — CID 136970720

IUPAC4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(c2nc[nH]c(=O)c2Cl)c2ccccc2N1
InChIInChI=1S/C12H9ClN4O2/c13-10-11(14-6-15-12(10)19)17-5-9(18)16-7-3-1-2-4-8(7)17/h1-4,6H,5H2,(H,16,18)(H,14,15,19)
InChIKeyMVMHWAYBFHMNQC-UHFFFAOYSA-N
MW276.68 g/mol
LogP1.51
Rot. Bonds1

About 4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one

4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one (PubChem CID 136970720) has the molecular formula C12H9ClN4O2 and a molecular weight of 276.68 g/mol. Its IUPAC name is 4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one
PubChem CID136970720
Molecular FormulaC12H9ClN4O2
Molecular Weight276.68 g/mol
Exact Mass276.04
IUPAC Name4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one
SMILESO=C1CN(c2nc[nH]c(=O)c2Cl)c2ccccc2N1
InChIInChI=1S/C12H9ClN4O2/c13-10-11(14-6-15-12(10)19)17-5-9(18)16-7-3-1-2-4-8(7)17/h1-4,6H,5H2,(H,16,18)(H,14,15,19)
InChIKeyMVMHWAYBFHMNQC-UHFFFAOYSA-N
XLogP1.51
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one with MolForge

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Related Compounds

4-(5-bromo-2-chloropyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one
CID 79076681
4-(3-amino-5-bromo-2-pyridinyl)-1,3-dihydroquinoxalin-2-one
CID 61228469
4-(2-amino-4-chlorophenyl)-1,3-dihydroquinoxalin-2-one
CID 28822158
2-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-3-carbothioamide
CID 28822400
4-(6-amino-5-propylpyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one
CID 80750407
4-(4-bromophenyl)-1,3-dihydroquinoxalin-2-one
CID 117006597
4-(4,6-dimethylpyrimidin-2-yl)-1,3-dihydroquinoxalin-2-one
CID 15894106
2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile
CID 28822343
6-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-3-carbonitrile
CID 28822352
4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-1,4-diazepan-2-one
CID 137009721
4-aminooxy-1,3-dihydroquinoxalin-2-one
CID 176828286
2-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile
CID 28822354

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one (CID 136970720) is 4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one is O=C1CN(c2nc[nH]c(=O)c2Cl)c2ccccc2N1.
What is the InChIKey of 4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is MVMHWAYBFHMNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O2/c13-10-11(14-6-15-12(10)19)17-5-9(18)16-7-3-1-2-4-8(7)17/h1-4,6H,5H2,(H,16,18)(H,14,15,19).
What are the key properties of 4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one?
4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 276.68 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 136970720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).