4-methylidene-1-(3-methylquinoxalin-2-yl)pyrimidin-2-one

C14H12N4O — CID 167552401

IUPAC4-methylidene-1-(3-methylquinoxalin-2-yl)pyrimidin-2-one
SMILESC=C1C=CN(c2nc3ccccc3nc2C)C(=O)N1
InChIInChI=1S/C14H12N4O/c1-9-7-8-18(14(19)15-9)13-10(2)16-11-5-3-4-6-12(11)17-13/h3-8H,1H2,2H3,(H,15,19)
InChIKeyMCOUYPLUILLZKL-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.50
Rot. Bonds1

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

4-methylidene-1-(3-methylquinoxalin-2-yl)pyrimidin-2-one (PubChem CID 167552401) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 4-methylidene-1-(3-methylquinoxalin-2-yl)pyrimidin-2-one.

Molecular Properties

Compound Name4-methylidene-1-(3-methylquinoxalin-2-yl)pyrimidin-2-one
PubChem CID167552401
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name4-methylidene-1-(3-methylquinoxalin-2-yl)pyrimidin-2-one
SMILESC=C1C=CN(c2nc3ccccc3nc2C)C(=O)N1
InChIInChI=1S/C14H12N4O/c1-9-7-8-18(14(19)15-9)13-10(2)16-11-5-3-4-6-12(11)17-13/h3-8H,1H2,2H3,(H,15,19)
InChIKeyMCOUYPLUILLZKL-UHFFFAOYSA-N
XLogP2.50
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-1-(3-methylquinoxalin-2-yl)pyrimidin-2-one?
The IUPAC name of 4-methylidene-1-(3-methylquinoxalin-2-yl)pyrimidin-2-one (CID 167552401) is 4-methylidene-1-(3-methylquinoxalin-2-yl)pyrimidin-2-one.
What is the SMILES notation for 4-methylidene-1-(3-methylquinoxalin-2-yl)pyrimidin-2-one?
The canonical SMILES for 4-methylidene-1-(3-methylquinoxalin-2-yl)pyrimidin-2-one is C=C1C=CN(c2nc3ccccc3nc2C)C(=O)N1.
What is the InChIKey of 4-methylidene-1-(3-methylquinoxalin-2-yl)pyrimidin-2-one?
The InChIKey is MCOUYPLUILLZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-9-7-8-18(14(19)15-9)13-10(2)16-11-5-3-4-6-12(11)17-13/h3-8H,1H2,2H3,(H,15,19).
What are the key properties of 4-methylidene-1-(3-methylquinoxalin-2-yl)pyrimidin-2-one?
4-methylidene-1-(3-methylquinoxalin-2-yl)pyrimidin-2-one has a molecular weight of 252.28 g/mol, XLogP of 2.50, 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)pyrimidin-2-one is sourced from PubChem (CID 167552401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).