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

C12H10N2O3 — CID 22765617

IUPAC7-ethoxy-3H-[1,3]oxazolo[4,5-c]quinolin-2-one
SMILESCCOc1ccc2c(c1)ncc1[nH]c(=O)oc12
InChIInChI=1S/C12H10N2O3/c1-2-16-7-3-4-8-9(5-7)13-6-10-11(8)17-12(15)14-10/h3-6H,2H2,1H3,(H,14,15)
InChIKeyIUYHTKCUPUBUPA-UHFFFAOYSA-N
MW230.22 g/mol
LogP2.07
Rot. Bonds2

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

7-ethoxy-3H-[1,3]oxazolo[4,5-c]quinolin-2-one (PubChem CID 22765617) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 7-ethoxy-3H-[1,3]oxazolo[4,5-c]quinolin-2-one.

Molecular Properties

Compound Name7-ethoxy-3H-[1,3]oxazolo[4,5-c]quinolin-2-one
PubChem CID22765617
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name7-ethoxy-3H-[1,3]oxazolo[4,5-c]quinolin-2-one
SMILESCCOc1ccc2c(c1)ncc1[nH]c(=O)oc12
InChIInChI=1S/C12H10N2O3/c1-2-16-7-3-4-8-9(5-7)13-6-10-11(8)17-12(15)14-10/h3-6H,2H2,1H3,(H,14,15)
InChIKeyIUYHTKCUPUBUPA-UHFFFAOYSA-N
XLogP2.07
TPSA68.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-3H-[1,3]oxazolo[4,5-c]quinolin-2-one?
The IUPAC name of 7-ethoxy-3H-[1,3]oxazolo[4,5-c]quinolin-2-one (CID 22765617) is 7-ethoxy-3H-[1,3]oxazolo[4,5-c]quinolin-2-one.
What is the SMILES notation for 7-ethoxy-3H-[1,3]oxazolo[4,5-c]quinolin-2-one?
The canonical SMILES for 7-ethoxy-3H-[1,3]oxazolo[4,5-c]quinolin-2-one is CCOc1ccc2c(c1)ncc1[nH]c(=O)oc12.
What is the InChIKey of 7-ethoxy-3H-[1,3]oxazolo[4,5-c]quinolin-2-one?
The InChIKey is IUYHTKCUPUBUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-2-16-7-3-4-8-9(5-7)13-6-10-11(8)17-12(15)14-10/h3-6H,2H2,1H3,(H,14,15).
What are the key properties of 7-ethoxy-3H-[1,3]oxazolo[4,5-c]quinolin-2-one?
7-ethoxy-3H-[1,3]oxazolo[4,5-c]quinolin-2-one has a molecular weight of 230.22 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-3H-[1,3]oxazolo[4,5-c]quinolin-2-one is sourced from PubChem (CID 22765617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).