1-methyl-4-(oxolan-2-ylmethyl)-3H-quinoxalin-2-one

C14H18N2O2 — CID 117006680

IUPAC1-methyl-4-(oxolan-2-ylmethyl)-3H-quinoxalin-2-one
SMILESCN1C(=O)CN(CC2CCCO2)c2ccccc21
InChIInChI=1S/C14H18N2O2/c1-15-12-6-2-3-7-13(12)16(10-14(15)17)9-11-5-4-8-18-11/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKeyQBCZVZYRGZJEOF-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.65
Rot. Bonds2

About 1-methyl-4-(oxolan-2-ylmethyl)-3H-quinoxalin-2-one

1-methyl-4-(oxolan-2-ylmethyl)-3H-quinoxalin-2-one (PubChem CID 117006680) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-methyl-4-(oxolan-2-ylmethyl)-3H-quinoxalin-2-one.

Molecular Properties

Compound Name1-methyl-4-(oxolan-2-ylmethyl)-3H-quinoxalin-2-one
PubChem CID117006680
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-methyl-4-(oxolan-2-ylmethyl)-3H-quinoxalin-2-one
SMILESCN1C(=O)CN(CC2CCCO2)c2ccccc21
InChIInChI=1S/C14H18N2O2/c1-15-12-6-2-3-7-13(12)16(10-14(15)17)9-11-5-4-8-18-11/h2-3,6-7,11H,4-5,8-10H2,1H3
InChIKeyQBCZVZYRGZJEOF-UHFFFAOYSA-N
XLogP1.65
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(piperidin-4-ylmethyl)-3H-quinoxalin-2-one
CID 117030772
6-[[(2S)-oxolan-2-yl]methyl]benzo[d][2]benzazepine-5,7-dione
CID 714785
1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64872858
1-methyl-3-(oxolan-2-ylmethyl)imidazolidin-2-one
CID 117026456
3-methyl-1-(oxolan-2-ylmethyl)-3-phenylpiperazine-2,5-dione
CID 64881514
2-methyl-3-(oxolan-2-ylmethyl)-2H-1,3-benzoxazole
CID 162021021
2-(oxolan-2-ylmethyl)-3,4-dihydroisoquinolin-1-one
CID 113339957
N-[1-(oxan-2-ylmethyl)-2,3-dihydroquinolin-4-ylidene]hydroxylamine
CID 77034016
methyl 2-(4-methyl-3-oxo-2H-quinoxalin-1-yl)acetate
CID 117030796
6-bromo-4-(oxolan-2-ylmethyl)-1,3-dihydroquinoxalin-2-one
CID 117006335
6-(oxolan-2-ylmethyl)-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
CID 3788494
1-[2-(oxolan-2-yl)ethyl]-3,4-dihydroquinoxalin-2-one
CID 65166169

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(oxolan-2-ylmethyl)-3H-quinoxalin-2-one?
The IUPAC name of 1-methyl-4-(oxolan-2-ylmethyl)-3H-quinoxalin-2-one (CID 117006680) is 1-methyl-4-(oxolan-2-ylmethyl)-3H-quinoxalin-2-one.
What is the SMILES notation for 1-methyl-4-(oxolan-2-ylmethyl)-3H-quinoxalin-2-one?
The canonical SMILES for 1-methyl-4-(oxolan-2-ylmethyl)-3H-quinoxalin-2-one is CN1C(=O)CN(CC2CCCO2)c2ccccc21.
What is the InChIKey of 1-methyl-4-(oxolan-2-ylmethyl)-3H-quinoxalin-2-one?
The InChIKey is QBCZVZYRGZJEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-15-12-6-2-3-7-13(12)16(10-14(15)17)9-11-5-4-8-18-11/h2-3,6-7,11H,4-5,8-10H2,1H3.
What are the key properties of 1-methyl-4-(oxolan-2-ylmethyl)-3H-quinoxalin-2-one?
1-methyl-4-(oxolan-2-ylmethyl)-3H-quinoxalin-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(oxolan-2-ylmethyl)-3H-quinoxalin-2-one is sourced from PubChem (CID 117006680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).