2-[2-(hydroxymethyl)-2-methyl-3-oxo-1,4-dihydroquinoxalin-6-yl]acetamide

C12H15N3O3 — CID 141209066

IUPAC2-[2-(hydroxymethyl)-2-methyl-3-oxo-1,4-dihydroquinoxalin-6-yl]acetamide
SMILESCC1(CO)Nc2ccc(CC(N)=O)cc2NC1=O
InChIInChI=1S/C12H15N3O3/c1-12(6-16)11(18)14-9-4-7(5-10(13)17)2-3-8(9)15-12/h2-4,15-16H,5-6H2,1H3,(H2,13,17)(H,14,18)
InChIKeyICVFHBSPORUQTR-UHFFFAOYSA-N
MW249.27 g/mol
LogP-0.17
Rot. Bonds3

About 2-[2-(hydroxymethyl)-2-methyl-3-oxo-1,4-dihydroquinoxalin-6-yl]acetamide

2-[2-(hydroxymethyl)-2-methyl-3-oxo-1,4-dihydroquinoxalin-6-yl]acetamide (PubChem CID 141209066) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-2-methyl-3-oxo-1,4-dihydroquinoxalin-6-yl]acetamide.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-2-methyl-3-oxo-1,4-dihydroquinoxalin-6-yl]acetamide
PubChem CID141209066
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name2-[2-(hydroxymethyl)-2-methyl-3-oxo-1,4-dihydroquinoxalin-6-yl]acetamide
SMILESCC1(CO)Nc2ccc(CC(N)=O)cc2NC1=O
InChIInChI=1S/C12H15N3O3/c1-12(6-16)11(18)14-9-4-7(5-10(13)17)2-3-8(9)15-12/h2-4,15-16H,5-6H2,1H3,(H2,13,17)(H,14,18)
InChIKeyICVFHBSPORUQTR-UHFFFAOYSA-N
XLogP-0.17
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-2-methyl-3-oxo-1,4-dihydroquinoxalin-6-yl]acetamide?
The IUPAC name of 2-[2-(hydroxymethyl)-2-methyl-3-oxo-1,4-dihydroquinoxalin-6-yl]acetamide (CID 141209066) is 2-[2-(hydroxymethyl)-2-methyl-3-oxo-1,4-dihydroquinoxalin-6-yl]acetamide.
What is the SMILES notation for 2-[2-(hydroxymethyl)-2-methyl-3-oxo-1,4-dihydroquinoxalin-6-yl]acetamide?
The canonical SMILES for 2-[2-(hydroxymethyl)-2-methyl-3-oxo-1,4-dihydroquinoxalin-6-yl]acetamide is CC1(CO)Nc2ccc(CC(N)=O)cc2NC1=O.
What is the InChIKey of 2-[2-(hydroxymethyl)-2-methyl-3-oxo-1,4-dihydroquinoxalin-6-yl]acetamide?
The InChIKey is ICVFHBSPORUQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-12(6-16)11(18)14-9-4-7(5-10(13)17)2-3-8(9)15-12/h2-4,15-16H,5-6H2,1H3,(H2,13,17)(H,14,18).
What are the key properties of 2-[2-(hydroxymethyl)-2-methyl-3-oxo-1,4-dihydroquinoxalin-6-yl]acetamide?
2-[2-(hydroxymethyl)-2-methyl-3-oxo-1,4-dihydroquinoxalin-6-yl]acetamide has a molecular weight of 249.27 g/mol, XLogP of -0.17, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-2-methyl-3-oxo-1,4-dihydroquinoxalin-6-yl]acetamide is sourced from PubChem (CID 141209066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).