2-methyl-[1,3]oxazolo[4,5-f]quinoline-4,5-dione

C11H6N2O3 — CID 118219007

IUPAC2-methyl-[1,3]oxazolo[4,5-f]quinoline-4,5-dione
SMILESCc1nc2c(o1)C(=O)C(=O)c1ncccc1-2
InChIInChI=1S/C11H6N2O3/c1-5-13-8-6-3-2-4-12-7(6)9(14)10(15)11(8)16-5/h2-4H,1H3
InChIKeyGQFMLXFXBOJIBE-UHFFFAOYSA-N
MW214.18 g/mol
LogP1.42
Rot. Bonds

About 2-methyl-[1,3]oxazolo[4,5-f]quinoline-4,5-dione

2-methyl-[1,3]oxazolo[4,5-f]quinoline-4,5-dione (PubChem CID 118219007) has the molecular formula C11H6N2O3 and a molecular weight of 214.18 g/mol. Its IUPAC name is 2-methyl-[1,3]oxazolo[4,5-f]quinoline-4,5-dione.

Molecular Properties

Compound Name2-methyl-[1,3]oxazolo[4,5-f]quinoline-4,5-dione
PubChem CID118219007
Molecular FormulaC11H6N2O3
Molecular Weight214.18 g/mol
Exact Mass214.04
IUPAC Name2-methyl-[1,3]oxazolo[4,5-f]quinoline-4,5-dione
SMILESCc1nc2c(o1)C(=O)C(=O)c1ncccc1-2
InChIInChI=1S/C11H6N2O3/c1-5-13-8-6-3-2-4-12-7(6)9(14)10(15)11(8)16-5/h2-4H,1H3
InChIKeyGQFMLXFXBOJIBE-UHFFFAOYSA-N
XLogP1.42
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4,7-phenanthroline-5,6-dione
CID 6764
9-methylphenaleno[2,1-d][1,3]oxazol-7-one
CID 2785446
2-methyl-5-(6-methyl-2-pyridinyl)-4-quinolin-8-yl-1,3-oxazole
CID 68886380
6,10,16-triazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-8-one
CID 15480973
2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylic acid
CID 121472574
4,9-dioxofuro[3,2-g]quinoline-2-carbaldehyde
CID 142308030
9,11-dimethylpyrido[2,3-b]acridine-5,12-dione
CID 10946126
6-methyl-7,8,9,10-tetrahydropyrido[3,2-b]acridine-5,12-dione
CID 15870607
ethyl 2-methyl-4,9-dioxofuro[3,2-g]quinoline-3-carboxylate
CID 14895315
7-methylbenzo[b][1,10]phenanthroline-5,6-dione
CID 176653841
8-iminoquinoline-5,6-dione
CID 90904484
sodium;hydride;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylate;2-methyl-4,9-dioxofuro[2,3-g]quinoline-3-carboxylic acid
CID 162207087

Frequently Asked Questions

What is the IUPAC name of 2-methyl-[1,3]oxazolo[4,5-f]quinoline-4,5-dione?
The IUPAC name of 2-methyl-[1,3]oxazolo[4,5-f]quinoline-4,5-dione (CID 118219007) is 2-methyl-[1,3]oxazolo[4,5-f]quinoline-4,5-dione.
What is the SMILES notation for 2-methyl-[1,3]oxazolo[4,5-f]quinoline-4,5-dione?
The canonical SMILES for 2-methyl-[1,3]oxazolo[4,5-f]quinoline-4,5-dione is Cc1nc2c(o1)C(=O)C(=O)c1ncccc1-2.
What is the InChIKey of 2-methyl-[1,3]oxazolo[4,5-f]quinoline-4,5-dione?
The InChIKey is GQFMLXFXBOJIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N2O3/c1-5-13-8-6-3-2-4-12-7(6)9(14)10(15)11(8)16-5/h2-4H,1H3.
What are the key properties of 2-methyl-[1,3]oxazolo[4,5-f]quinoline-4,5-dione?
2-methyl-[1,3]oxazolo[4,5-f]quinoline-4,5-dione has a molecular weight of 214.18 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-[1,3]oxazolo[4,5-f]quinoline-4,5-dione is sourced from PubChem (CID 118219007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).