2-methyl-8H-[1,2]oxazolo[4,5-g]quinoline-3,5-dione

C11H8N2O3 — CID 71018057

IUPAC2-methyl-8H-[1,2]oxazolo[4,5-g]quinoline-3,5-dione
SMILESCn1oc2cc3[nH]ccc(=O)c3cc2c1=O
InChIInChI=1S/C11H8N2O3/c1-13-11(15)7-4-6-8(5-10(7)16-13)12-3-2-9(6)14/h2-5H,1H3,(H,12,14)
InChIKeyYWUHWHCQHBFTRG-UHFFFAOYSA-N
MW216.20 g/mol
LogP0.97
Rot. Bonds

About 2-methyl-8H-[1,2]oxazolo[4,5-g]quinoline-3,5-dione

2-methyl-8H-[1,2]oxazolo[4,5-g]quinoline-3,5-dione (PubChem CID 71018057) has the molecular formula C11H8N2O3 and a molecular weight of 216.20 g/mol. Its IUPAC name is 2-methyl-8H-[1,2]oxazolo[4,5-g]quinoline-3,5-dione.

Molecular Properties

Compound Name2-methyl-8H-[1,2]oxazolo[4,5-g]quinoline-3,5-dione
PubChem CID71018057
Molecular FormulaC11H8N2O3
Molecular Weight216.20 g/mol
Exact Mass216.05
IUPAC Name2-methyl-8H-[1,2]oxazolo[4,5-g]quinoline-3,5-dione
SMILESCn1oc2cc3[nH]ccc(=O)c3cc2c1=O
InChIInChI=1S/C11H8N2O3/c1-13-11(15)7-4-6-8(5-10(7)16-13)12-3-2-9(6)14/h2-5H,1H3,(H,12,14)
InChIKeyYWUHWHCQHBFTRG-UHFFFAOYSA-N
XLogP0.97
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,9-dihydropyrido[3,2-g]quinoline-4,6-dione
CID 58898447
6,7-dihydroxy-1H-quinolin-4-one
CID 19831784
7-chloro-6-methyl-1H-quinolin-4-one
CID 53418924
(4-oxo-1H-quinolin-6-yl)azanium
CID 135689638
1,10-dihydro-1,10-phenanthroline-4,7-dione
CID 158267302
7-chloro-4-oxo-1H-quinoline-6-carbonitrile
CID 53418906
6-hydroxy-7-phosphanyloxy-1H-quinolin-4-one
CID 130443918
6-(diethylamino)-1H-quinolin-4-one
CID 63180418
7-propan-2-yl-1H-1,6-naphthyridin-4-one
CID 122697402
6-bromo-7-(oxetan-3-yl)-1H-quinolin-4-one
CID 165123375
10-chloro-1,9-dihydropyrido[3,2-g]quinoline-4,6-dione
CID 70636824
benzene;1H-quinolin-4-one
CID 175272043

Frequently Asked Questions

What is the IUPAC name of 2-methyl-8H-[1,2]oxazolo[4,5-g]quinoline-3,5-dione?
The IUPAC name of 2-methyl-8H-[1,2]oxazolo[4,5-g]quinoline-3,5-dione (CID 71018057) is 2-methyl-8H-[1,2]oxazolo[4,5-g]quinoline-3,5-dione.
What is the SMILES notation for 2-methyl-8H-[1,2]oxazolo[4,5-g]quinoline-3,5-dione?
The canonical SMILES for 2-methyl-8H-[1,2]oxazolo[4,5-g]quinoline-3,5-dione is Cn1oc2cc3[nH]ccc(=O)c3cc2c1=O.
What is the InChIKey of 2-methyl-8H-[1,2]oxazolo[4,5-g]quinoline-3,5-dione?
The InChIKey is YWUHWHCQHBFTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O3/c1-13-11(15)7-4-6-8(5-10(7)16-13)12-3-2-9(6)14/h2-5H,1H3,(H,12,14).
What are the key properties of 2-methyl-8H-[1,2]oxazolo[4,5-g]quinoline-3,5-dione?
2-methyl-8H-[1,2]oxazolo[4,5-g]quinoline-3,5-dione has a molecular weight of 216.20 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8H-[1,2]oxazolo[4,5-g]quinoline-3,5-dione is sourced from PubChem (CID 71018057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).