6-propan-2-yloxy-1,4-dihydroquinoxaline-2,3-dione

C11H12N2O3 — CID 146342056

IUPAC6-propan-2-yloxy-1,4-dihydroquinoxaline-2,3-dione
SMILESCC(C)Oc1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C11H12N2O3/c1-6(2)16-7-3-4-8-9(5-7)13-11(15)10(14)12-8/h3-6H,1-2H3,(H,12,14)(H,13,15)
InChIKeyLSFDEXKKAUMWQL-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.00
Rot. Bonds2

About 6-propan-2-yloxy-1,4-dihydroquinoxaline-2,3-dione

6-propan-2-yloxy-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 146342056) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 6-propan-2-yloxy-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-propan-2-yloxy-1,4-dihydroquinoxaline-2,3-dione
PubChem CID146342056
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name6-propan-2-yloxy-1,4-dihydroquinoxaline-2,3-dione
SMILESCC(C)Oc1ccc2[nH]c(=O)c(=O)[nH]c2c1
InChIInChI=1S/C11H12N2O3/c1-6(2)16-7-3-4-8-9(5-7)13-11(15)10(14)12-8/h3-6H,1-2H3,(H,12,14)(H,13,15)
InChIKeyLSFDEXKKAUMWQL-UHFFFAOYSA-N
XLogP1.00
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-propan-2-yloxy-1,3-dihydrobenzimidazole-2-thione
CID 18966959
(2,3-dioxo-1,4-dihydroquinoxalin-6-yl) hydrogen carbonate
CID 70508799
2-oxo-7-propan-2-yloxy-1H-quinoline-3-carbaldehyde
CID 143687937
3-(2-aminoethyl)-4-methyl-6-propan-2-yloxy-1H-quinolin-2-one
CID 84638203
CID 157177640
CID 157177640
6-(1-hydroxyethyl)-1,4-dihydroquinoxaline-2,3-dione
CID 61088243
4-oxo-6-propan-2-yloxy-1H-quinoline-2-carbonitrile
CID 82242632
3-methoxy-4-phenylmethoxy-7-propan-2-yloxy-1H-quinolin-2-one
CID 139717954
5-propan-2-yloxy-1H-indole
CID 16738054
2-ethyl-3-methyl-6-propan-2-yloxy-1H-quinolin-4-one
CID 55221673
2-[(4-hydroxy-2-oxo-7-propan-2-yloxy-1H-quinoline-3-carbonyl)amino]acetic acid
CID 90258389
ethane;5-methoxy-1,3-dihydrobenzimidazol-2-one
CID 143892741

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yloxy-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-propan-2-yloxy-1,4-dihydroquinoxaline-2,3-dione (CID 146342056) is 6-propan-2-yloxy-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-propan-2-yloxy-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-propan-2-yloxy-1,4-dihydroquinoxaline-2,3-dione is CC(C)Oc1ccc2[nH]c(=O)c(=O)[nH]c2c1.
What is the InChIKey of 6-propan-2-yloxy-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is LSFDEXKKAUMWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-6(2)16-7-3-4-8-9(5-7)13-11(15)10(14)12-8/h3-6H,1-2H3,(H,12,14)(H,13,15).
What are the key properties of 6-propan-2-yloxy-1,4-dihydroquinoxaline-2,3-dione?
6-propan-2-yloxy-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 220.23 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yloxy-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 146342056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).