7-methyl-3H-[1,3]oxazolo[4,5-c]quinolin-2-one

C11H8N2O2 — CID 22765637

IUPAC7-methyl-3H-[1,3]oxazolo[4,5-c]quinolin-2-one
SMILESCc1ccc2c(c1)ncc1[nH]c(=O)oc12
InChIInChI=1S/C11H8N2O2/c1-6-2-3-7-8(4-6)12-5-9-10(7)15-11(14)13-9/h2-5H,1H3,(H,13,14)
InChIKeyDWBBNCCCEKQOAU-UHFFFAOYSA-N
MW200.20 g/mol
LogP1.98
Rot. Bonds

About 7-methyl-3H-[1,3]oxazolo[4,5-c]quinolin-2-one

7-methyl-3H-[1,3]oxazolo[4,5-c]quinolin-2-one (PubChem CID 22765637) has the molecular formula C11H8N2O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 7-methyl-3H-[1,3]oxazolo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name7-methyl-3H-[1,3]oxazolo[4,5-c]quinolin-2-one
PubChem CID22765637
Molecular FormulaC11H8N2O2
Molecular Weight200.20 g/mol
Exact Mass200.06
IUPAC Name7-methyl-3H-[1,3]oxazolo[4,5-c]quinolin-2-one
SMILESCc1ccc2c(c1)ncc1[nH]c(=O)oc12
InChIInChI=1S/C11H8N2O2/c1-6-2-3-7-8(4-6)12-5-9-10(7)15-11(14)13-9/h2-5H,1H3,(H,13,14)
InChIKeyDWBBNCCCEKQOAU-UHFFFAOYSA-N
XLogP1.98
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3H-[1,3]oxazolo[4,5-c]quinolin-2-one?
The IUPAC name of 7-methyl-3H-[1,3]oxazolo[4,5-c]quinolin-2-one (CID 22765637) is 7-methyl-3H-[1,3]oxazolo[4,5-c]quinolin-2-one.
What is the SMILES notation for 7-methyl-3H-[1,3]oxazolo[4,5-c]quinolin-2-one?
The canonical SMILES for 7-methyl-3H-[1,3]oxazolo[4,5-c]quinolin-2-one is Cc1ccc2c(c1)ncc1[nH]c(=O)oc12.
What is the InChIKey of 7-methyl-3H-[1,3]oxazolo[4,5-c]quinolin-2-one?
The InChIKey is DWBBNCCCEKQOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2/c1-6-2-3-7-8(4-6)12-5-9-10(7)15-11(14)13-9/h2-5H,1H3,(H,13,14).
What are the key properties of 7-methyl-3H-[1,3]oxazolo[4,5-c]quinolin-2-one?
7-methyl-3H-[1,3]oxazolo[4,5-c]quinolin-2-one has a molecular weight of 200.20 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3H-[1,3]oxazolo[4,5-c]quinolin-2-one is sourced from PubChem (CID 22765637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).