4-methylidene-1-(3-methylquinoxalin-2-yl)-1,3-diazinan-2-one

C14H14N4O — CID 167585017

IUPAC4-methylidene-1-(3-methylquinoxalin-2-yl)-1,3-diazinan-2-one
SMILESC=C1CCN(c2nc3ccccc3nc2C)C(=O)N1
InChIInChI=1S/C14H14N4O/c1-9-7-8-18(14(19)15-9)13-10(2)16-11-5-3-4-6-12(11)17-13/h3-6H,1,7-8H2,2H3,(H,15,19)
InChIKeyZQSVNHHUGAITLA-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.37
Rot. Bonds1

About 4-methylidene-1-(3-methylquinoxalin-2-yl)-1,3-diazinan-2-one

4-methylidene-1-(3-methylquinoxalin-2-yl)-1,3-diazinan-2-one (PubChem CID 167585017) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-methylidene-1-(3-methylquinoxalin-2-yl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name4-methylidene-1-(3-methylquinoxalin-2-yl)-1,3-diazinan-2-one
PubChem CID167585017
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4-methylidene-1-(3-methylquinoxalin-2-yl)-1,3-diazinan-2-one
SMILESC=C1CCN(c2nc3ccccc3nc2C)C(=O)N1
InChIInChI=1S/C14H14N4O/c1-9-7-8-18(14(19)15-9)13-10(2)16-11-5-3-4-6-12(11)17-13/h3-6H,1,7-8H2,2H3,(H,15,19)
InChIKeyZQSVNHHUGAITLA-UHFFFAOYSA-N
XLogP2.37
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylidene-1-(3-methylquinoxalin-2-yl)pyrimidin-2-one
CID 167552401
1-(3H-indol-2-yl)-4-methylidene-1,3-diazinan-2-one
CID 167658335
5-fluoro-4-methyl-2-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]-1H-pyrimidin-6-one
CID 154853631
2-methyl-3-(4-methylidene-2-oxo-1,3-diazinan-1-yl)pyrimido[1,2-a]pyrimidin-4-one
CID 167615716
3-methyl-1-(3-methylquinoxalin-2-yl)pyrrolidin-3-ol
CID 113341930
1-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrrolidin-2-one
CID 126899358
1-(1-methylpyrazol-4-yl)-4-(3-methylquinoxalin-2-yl)piperazin-2-one
CID 133336819
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-methylquinoxaline
CID 115314777
methyl 4-(3-methylquinoxalin-2-yl)piperazine-1-carboxylate
CID 108741258
2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-methylquinoxaline
CID 139027361
2-methyl-3-(4-quinoxalin-2-ylpiperazin-1-yl)quinoxaline
CID 108776804
2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-methylquinoxaline
CID 31007687

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1-(3-methylquinoxalin-2-yl)-1,3-diazinan-2-one?
The IUPAC name of 4-methylidene-1-(3-methylquinoxalin-2-yl)-1,3-diazinan-2-one (CID 167585017) is 4-methylidene-1-(3-methylquinoxalin-2-yl)-1,3-diazinan-2-one.
What is the SMILES notation for 4-methylidene-1-(3-methylquinoxalin-2-yl)-1,3-diazinan-2-one?
The canonical SMILES for 4-methylidene-1-(3-methylquinoxalin-2-yl)-1,3-diazinan-2-one is C=C1CCN(c2nc3ccccc3nc2C)C(=O)N1.
What is the InChIKey of 4-methylidene-1-(3-methylquinoxalin-2-yl)-1,3-diazinan-2-one?
The InChIKey is ZQSVNHHUGAITLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9-7-8-18(14(19)15-9)13-10(2)16-11-5-3-4-6-12(11)17-13/h3-6H,1,7-8H2,2H3,(H,15,19).
What are the key properties of 4-methylidene-1-(3-methylquinoxalin-2-yl)-1,3-diazinan-2-one?
4-methylidene-1-(3-methylquinoxalin-2-yl)-1,3-diazinan-2-one has a molecular weight of 254.29 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1-(3-methylquinoxalin-2-yl)-1,3-diazinan-2-one is sourced from PubChem (CID 167585017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).