1-(2,2-dimethoxyethyl)-3-methylquinoxalin-2-one

C13H16N2O3 — CID 66221507

IUPAC1-(2,2-dimethoxyethyl)-3-methylquinoxalin-2-one
SMILESCOC(Cn1c(=O)c(C)nc2ccccc21)OC
InChIInChI=1S/C13H16N2O3/c1-9-13(16)15(8-12(17-2)18-3)11-7-5-4-6-10(11)14-9/h4-7,12H,8H2,1-3H3
InChIKeyGHDRQTAQOKKOJG-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.32
Rot. Bonds4

About 1-(2,2-dimethoxyethyl)-3-methylquinoxalin-2-one

1-(2,2-dimethoxyethyl)-3-methylquinoxalin-2-one (PubChem CID 66221507) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(2,2-dimethoxyethyl)-3-methylquinoxalin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethoxyethyl)-3-methylquinoxalin-2-one
PubChem CID66221507
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-(2,2-dimethoxyethyl)-3-methylquinoxalin-2-one
SMILESCOC(Cn1c(=O)c(C)nc2ccccc21)OC
InChIInChI=1S/C13H16N2O3/c1-9-13(16)15(8-12(17-2)18-3)11-7-5-4-6-10(11)14-9/h4-7,12H,8H2,1-3H3
InChIKeyGHDRQTAQOKKOJG-UHFFFAOYSA-N
XLogP1.32
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-dimethoxyethyl)-2-methylbenzimidazole
CID 66222131
1-ethyl-3-methylquinoxalin-2-one
CID 139075519
3-methyl-1-[2-(methylamino)butyl]quinoxalin-2-one
CID 62374695
1-(2-amino-2-cyclopropylethyl)-3-methylquinoxalin-2-one
CID 63915051
methyl 2-ethyl-4-(3-methyl-2-oxoquinoxalin-1-yl)but-2-enoate
CID 77101731
1-benzyl-3-methylquinoxalin-2-one
CID 139051924
1-[3-(ethylamino)-2-hydroxypropyl]-3-methylquinoxalin-2-one
CID 62374705
3-methyl-1-[(4-methylphenyl)methyl]quinoxalin-2-one
CID 13170889
2-ethyl-4-(3-methyl-2-oxoquinoxalin-1-yl)but-2-enoic acid
CID 77101730
1-hexadecyl-3-methylquinoxalin-2-one
CID 57358117
3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid
CID 62374383
2-(3-methyl-2-oxoquinoxalin-1-yl)ethanethioamide
CID 62374548

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethoxyethyl)-3-methylquinoxalin-2-one?
The IUPAC name of 1-(2,2-dimethoxyethyl)-3-methylquinoxalin-2-one (CID 66221507) is 1-(2,2-dimethoxyethyl)-3-methylquinoxalin-2-one.
What is the SMILES notation for 1-(2,2-dimethoxyethyl)-3-methylquinoxalin-2-one?
The canonical SMILES for 1-(2,2-dimethoxyethyl)-3-methylquinoxalin-2-one is COC(Cn1c(=O)c(C)nc2ccccc21)OC.
What is the InChIKey of 1-(2,2-dimethoxyethyl)-3-methylquinoxalin-2-one?
The InChIKey is GHDRQTAQOKKOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9-13(16)15(8-12(17-2)18-3)11-7-5-4-6-10(11)14-9/h4-7,12H,8H2,1-3H3.
What are the key properties of 1-(2,2-dimethoxyethyl)-3-methylquinoxalin-2-one?
1-(2,2-dimethoxyethyl)-3-methylquinoxalin-2-one has a molecular weight of 248.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethoxyethyl)-3-methylquinoxalin-2-one is sourced from PubChem (CID 66221507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).