1-methyl-7-propan-2-ylquinoxalin-2-one

C12H14N2O — CID 58229471

IUPAC1-methyl-7-propan-2-ylquinoxalin-2-one
SMILESCC(C)c1ccc2ncc(=O)n(C)c2c1
InChIInChI=1S/C12H14N2O/c1-8(2)9-4-5-10-11(6-9)14(3)12(15)7-13-10/h4-8H,1-3H3
InChIKeyKEKXLWPIZQJXPL-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.06
Rot. Bonds1

About 1-methyl-7-propan-2-ylquinoxalin-2-one

1-methyl-7-propan-2-ylquinoxalin-2-one (PubChem CID 58229471) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-methyl-7-propan-2-ylquinoxalin-2-one.

Molecular Properties

Compound Name1-methyl-7-propan-2-ylquinoxalin-2-one
PubChem CID58229471
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name1-methyl-7-propan-2-ylquinoxalin-2-one
SMILESCC(C)c1ccc2ncc(=O)n(C)c2c1
InChIInChI=1S/C12H14N2O/c1-8(2)9-4-5-10-11(6-9)14(3)12(15)7-13-10/h4-8H,1-3H3
InChIKeyKEKXLWPIZQJXPL-UHFFFAOYSA-N
XLogP2.06
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-propan-2-ylquinoxalin-2-one?
The IUPAC name of 1-methyl-7-propan-2-ylquinoxalin-2-one (CID 58229471) is 1-methyl-7-propan-2-ylquinoxalin-2-one.
What is the SMILES notation for 1-methyl-7-propan-2-ylquinoxalin-2-one?
The canonical SMILES for 1-methyl-7-propan-2-ylquinoxalin-2-one is CC(C)c1ccc2ncc(=O)n(C)c2c1.
What is the InChIKey of 1-methyl-7-propan-2-ylquinoxalin-2-one?
The InChIKey is KEKXLWPIZQJXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-8(2)9-4-5-10-11(6-9)14(3)12(15)7-13-10/h4-8H,1-3H3.
What are the key properties of 1-methyl-7-propan-2-ylquinoxalin-2-one?
1-methyl-7-propan-2-ylquinoxalin-2-one has a molecular weight of 202.26 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-7-propan-2-ylquinoxalin-2-one is sourced from PubChem (CID 58229471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).