1-methyl-3-propan-2-yloxyquinoxalin-2-one

C12H14N2O2 — CID 162372195

IUPAC1-methyl-3-propan-2-yloxyquinoxalin-2-one
SMILESCC(C)Oc1nc2ccccc2n(C)c1=O
InChIInChI=1S/C12H14N2O2/c1-8(2)16-11-12(15)14(3)10-7-5-4-6-9(10)13-11/h4-8H,1-3H3
InChIKeyYWMQVBVNWHATQP-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.72
Rot. Bonds2

About 1-methyl-3-propan-2-yloxyquinoxalin-2-one

1-methyl-3-propan-2-yloxyquinoxalin-2-one (PubChem CID 162372195) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yloxyquinoxalin-2-one.

Molecular Properties

Compound Name1-methyl-3-propan-2-yloxyquinoxalin-2-one
PubChem CID162372195
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-methyl-3-propan-2-yloxyquinoxalin-2-one
SMILESCC(C)Oc1nc2ccccc2n(C)c1=O
InChIInChI=1S/C12H14N2O2/c1-8(2)16-11-12(15)14(3)10-7-5-4-6-9(10)13-11/h4-8H,1-3H3
InChIKeyYWMQVBVNWHATQP-UHFFFAOYSA-N
XLogP1.72
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yloxyquinoxalin-2-one?
The IUPAC name of 1-methyl-3-propan-2-yloxyquinoxalin-2-one (CID 162372195) is 1-methyl-3-propan-2-yloxyquinoxalin-2-one.
What is the SMILES notation for 1-methyl-3-propan-2-yloxyquinoxalin-2-one?
The canonical SMILES for 1-methyl-3-propan-2-yloxyquinoxalin-2-one is CC(C)Oc1nc2ccccc2n(C)c1=O.
What is the InChIKey of 1-methyl-3-propan-2-yloxyquinoxalin-2-one?
The InChIKey is YWMQVBVNWHATQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-8(2)16-11-12(15)14(3)10-7-5-4-6-9(10)13-11/h4-8H,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yloxyquinoxalin-2-one?
1-methyl-3-propan-2-yloxyquinoxalin-2-one has a molecular weight of 218.26 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yloxyquinoxalin-2-one is sourced from PubChem (CID 162372195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).