4-[(2-methoxyphenyl)methyl]-1H-quinoxaline-2,3-dione

C16H14N2O3 — CID 19980277

IUPAC4-[(2-methoxyphenyl)methyl]-1H-quinoxaline-2,3-dione
SMILESCOc1ccccc1Cn1c(=O)c(=O)[nH]c2ccccc21
InChIInChI=1S/C16H14N2O3/c1-21-14-9-5-2-6-11(14)10-18-13-8-4-3-7-12(13)17-15(19)16(18)20/h2-9H,10H2,1H3,(H,17,19)
InChIKeyWXGHYOYBNYQPOR-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.75
Rot. Bonds3

About 4-[(2-methoxyphenyl)methyl]-1H-quinoxaline-2,3-dione

4-[(2-methoxyphenyl)methyl]-1H-quinoxaline-2,3-dione (PubChem CID 19980277) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methyl]-1H-quinoxaline-2,3-dione.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methyl]-1H-quinoxaline-2,3-dione
PubChem CID19980277
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name4-[(2-methoxyphenyl)methyl]-1H-quinoxaline-2,3-dione
SMILESCOc1ccccc1Cn1c(=O)c(=O)[nH]c2ccccc21
InChIInChI=1S/C16H14N2O3/c1-21-14-9-5-2-6-11(14)10-18-13-8-4-3-7-12(13)17-15(19)16(18)20/h2-9H,10H2,1H3,(H,17,19)
InChIKeyWXGHYOYBNYQPOR-UHFFFAOYSA-N
XLogP1.75
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-3-[(2-methoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117208271
ethane;4-(2-hydroxyethyl)-1H-quinoxaline-2,3-dione
CID 163261599
4-pentyl-1H-quinoxaline-2,3-dione
CID 169224633
10-[(2-methoxyphenyl)methyl]benzo[g]pteridine-2,4-dione
CID 91937758
2-(2,3-dioxo-4H-quinoxalin-1-yl)acetonitrile
CID 19827841
5-fluoro-3-[(2-methoxyphenyl)methyl]-1H-benzimidazole-2-thione
CID 62378537
3-[2-(2-methoxyphenyl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 17271636
1-[2-(2-methoxyphenyl)ethyl]-3-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]urea
CID 110610908
3-(2,3-dioxo-4H-quinoxalin-1-yl)propyl 2-methylpropanoate
CID 163261574
6-bromo-3-[(2-methoxyphenyl)methyl]-1H-benzimidazole-2-thione
CID 43659891
methyl 2-[(2-oxo-3H-benzimidazol-1-yl)methyl]benzoate
CID 151899237
3-(2-methoxyphenyl)-N-[3-(2-oxo-3H-benzimidazol-1-yl)propyl]propanamide
CID 110419764

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methyl]-1H-quinoxaline-2,3-dione?
The IUPAC name of 4-[(2-methoxyphenyl)methyl]-1H-quinoxaline-2,3-dione (CID 19980277) is 4-[(2-methoxyphenyl)methyl]-1H-quinoxaline-2,3-dione.
What is the SMILES notation for 4-[(2-methoxyphenyl)methyl]-1H-quinoxaline-2,3-dione?
The canonical SMILES for 4-[(2-methoxyphenyl)methyl]-1H-quinoxaline-2,3-dione is COc1ccccc1Cn1c(=O)c(=O)[nH]c2ccccc21.
What is the InChIKey of 4-[(2-methoxyphenyl)methyl]-1H-quinoxaline-2,3-dione?
The InChIKey is WXGHYOYBNYQPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-21-14-9-5-2-6-11(14)10-18-13-8-4-3-7-12(13)17-15(19)16(18)20/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of 4-[(2-methoxyphenyl)methyl]-1H-quinoxaline-2,3-dione?
4-[(2-methoxyphenyl)methyl]-1H-quinoxaline-2,3-dione has a molecular weight of 282.30 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)methyl]-1H-quinoxaline-2,3-dione is sourced from PubChem (CID 19980277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).