1-methyl-3-(2-methyloxolan-2-yl)quinoxalin-2-one

C14H16N2O2 — CID 156695638

IUPAC1-methyl-3-(2-methyloxolan-2-yl)quinoxalin-2-one
SMILESCn1c(=O)c(C2(C)CCCO2)nc2ccccc21
InChIInChI=1S/C14H16N2O2/c1-14(8-5-9-18-14)12-13(17)16(2)11-7-4-3-6-10(11)15-12/h3-4,6-7H,5,8-9H2,1-2H3
InChIKeyMLACGODPQSMUQG-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.96
Rot. Bonds1

About 1-methyl-3-(2-methyloxolan-2-yl)quinoxalin-2-one

1-methyl-3-(2-methyloxolan-2-yl)quinoxalin-2-one (PubChem CID 156695638) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-methyl-3-(2-methyloxolan-2-yl)quinoxalin-2-one.

Molecular Properties

Compound Name1-methyl-3-(2-methyloxolan-2-yl)quinoxalin-2-one
PubChem CID156695638
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-methyl-3-(2-methyloxolan-2-yl)quinoxalin-2-one
SMILESCn1c(=O)c(C2(C)CCCO2)nc2ccccc21
InChIInChI=1S/C14H16N2O2/c1-14(8-5-9-18-14)12-13(17)16(2)11-7-4-3-6-10(11)15-12/h3-4,6-7H,5,8-9H2,1-2H3
InChIKeyMLACGODPQSMUQG-UHFFFAOYSA-N
XLogP1.96
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methyloxolan-2-yl)quinoxalin-2-one?
The IUPAC name of 1-methyl-3-(2-methyloxolan-2-yl)quinoxalin-2-one (CID 156695638) is 1-methyl-3-(2-methyloxolan-2-yl)quinoxalin-2-one.
What is the SMILES notation for 1-methyl-3-(2-methyloxolan-2-yl)quinoxalin-2-one?
The canonical SMILES for 1-methyl-3-(2-methyloxolan-2-yl)quinoxalin-2-one is Cn1c(=O)c(C2(C)CCCO2)nc2ccccc21.
What is the InChIKey of 1-methyl-3-(2-methyloxolan-2-yl)quinoxalin-2-one?
The InChIKey is MLACGODPQSMUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-14(8-5-9-18-14)12-13(17)16(2)11-7-4-3-6-10(11)15-12/h3-4,6-7H,5,8-9H2,1-2H3.
What are the key properties of 1-methyl-3-(2-methyloxolan-2-yl)quinoxalin-2-one?
1-methyl-3-(2-methyloxolan-2-yl)quinoxalin-2-one has a molecular weight of 244.29 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methyloxolan-2-yl)quinoxalin-2-one is sourced from PubChem (CID 156695638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).