4-(4,6-dimethylpyrimidin-2-yl)-1,3-dihydroquinoxalin-2-one

C14H14N4O — CID 15894106

IUPAC4-(4,6-dimethylpyrimidin-2-yl)-1,3-dihydroquinoxalin-2-one
SMILESCc1cc(C)nc(N2CC(=O)Nc3ccccc32)n1
InChIInChI=1S/C14H14N4O/c1-9-7-10(2)16-14(15-9)18-8-13(19)17-11-5-3-4-6-12(11)18/h3-7H,8H2,1-2H3,(H,17,19)
InChIKeyHWUJFXSHOIOCLP-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.18
Rot. Bonds1

About 4-(4,6-dimethylpyrimidin-2-yl)-1,3-dihydroquinoxalin-2-one

4-(4,6-dimethylpyrimidin-2-yl)-1,3-dihydroquinoxalin-2-one (PubChem CID 15894106) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-(4,6-dimethylpyrimidin-2-yl)-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name4-(4,6-dimethylpyrimidin-2-yl)-1,3-dihydroquinoxalin-2-one
PubChem CID15894106
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4-(4,6-dimethylpyrimidin-2-yl)-1,3-dihydroquinoxalin-2-one
SMILESCc1cc(C)nc(N2CC(=O)Nc3ccccc32)n1
InChIInChI=1S/C14H14N4O/c1-9-7-10(2)16-14(15-9)18-8-13(19)17-11-5-3-4-6-12(11)18/h3-7H,8H2,1-2H3,(H,17,19)
InChIKeyHWUJFXSHOIOCLP-UHFFFAOYSA-N
XLogP2.18
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile
CID 107926990
4-[6-(methylamino)-2-methylsulfanylpyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one
CID 80750261
4-(4-bromophenyl)-1,3-dihydroquinoxalin-2-one
CID 117006597
5-methyl-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzenecarbothioamide
CID 107928491
2-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzonitrile
CID 28822343
4-(2-amino-4-chlorophenyl)-1,3-dihydroquinoxalin-2-one
CID 28822158
2-(3-oxo-2,4-dihydroquinoxalin-1-yl)pyridine-4-carbonitrile
CID 28822354
4-(3-amino-5-bromo-2-pyridinyl)-1,3-dihydroquinoxalin-2-one
CID 61228469
4-(2-acetyl-5-bromophenyl)-1,3-dihydroquinoxalin-2-one
CID 82953630
4-(2-propanoylphenyl)-1,3-dihydroquinoxalin-2-one
CID 115994549
4-(3-oxo-2,4-dihydroquinoxalin-1-yl)benzaldehyde
CID 28822379
4-[6-(ethylamino)pyrimidin-4-yl]-1,3-dihydroquinoxalin-2-one
CID 80765124

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethylpyrimidin-2-yl)-1,3-dihydroquinoxalin-2-one?
The IUPAC name of 4-(4,6-dimethylpyrimidin-2-yl)-1,3-dihydroquinoxalin-2-one (CID 15894106) is 4-(4,6-dimethylpyrimidin-2-yl)-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for 4-(4,6-dimethylpyrimidin-2-yl)-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for 4-(4,6-dimethylpyrimidin-2-yl)-1,3-dihydroquinoxalin-2-one is Cc1cc(C)nc(N2CC(=O)Nc3ccccc32)n1.
What is the InChIKey of 4-(4,6-dimethylpyrimidin-2-yl)-1,3-dihydroquinoxalin-2-one?
The InChIKey is HWUJFXSHOIOCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9-7-10(2)16-14(15-9)18-8-13(19)17-11-5-3-4-6-12(11)18/h3-7H,8H2,1-2H3,(H,17,19).
What are the key properties of 4-(4,6-dimethylpyrimidin-2-yl)-1,3-dihydroquinoxalin-2-one?
4-(4,6-dimethylpyrimidin-2-yl)-1,3-dihydroquinoxalin-2-one has a molecular weight of 254.29 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethylpyrimidin-2-yl)-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 15894106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).