3,5-dimethyl-[1,2]oxazolo[4,5-c]quinolin-4-one

C12H10N2O2 — CID 2750999

IUPAC3,5-dimethyl-[1,2]oxazolo[4,5-c]quinolin-4-one
SMILESCc1noc2c1c(=O)n(C)c1ccccc21
InChIInChI=1S/C12H10N2O2/c1-7-10-11(16-13-7)8-5-3-4-6-9(8)14(2)12(10)15/h3-6H,1-2H3
InChIKeyLRLNEVZLVOHEOA-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.99
Rot. Bonds

About 3,5-dimethyl-[1,2]oxazolo[4,5-c]quinolin-4-one

3,5-dimethyl-[1,2]oxazolo[4,5-c]quinolin-4-one (PubChem CID 2750999) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3,5-dimethyl-[1,2]oxazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name3,5-dimethyl-[1,2]oxazolo[4,5-c]quinolin-4-one
PubChem CID2750999
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name3,5-dimethyl-[1,2]oxazolo[4,5-c]quinolin-4-one
SMILESCc1noc2c1c(=O)n(C)c1ccccc21
InChIInChI=1S/C12H10N2O2/c1-7-10-11(16-13-7)8-5-3-4-6-9(8)14(2)12(10)15/h3-6H,1-2H3
InChIKeyLRLNEVZLVOHEOA-UHFFFAOYSA-N
XLogP1.99
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-[1,2]oxazolo[4,5-c]quinolin-4-one?
The IUPAC name of 3,5-dimethyl-[1,2]oxazolo[4,5-c]quinolin-4-one (CID 2750999) is 3,5-dimethyl-[1,2]oxazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 3,5-dimethyl-[1,2]oxazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 3,5-dimethyl-[1,2]oxazolo[4,5-c]quinolin-4-one is Cc1noc2c1c(=O)n(C)c1ccccc21.
What is the InChIKey of 3,5-dimethyl-[1,2]oxazolo[4,5-c]quinolin-4-one?
The InChIKey is LRLNEVZLVOHEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-7-10-11(16-13-7)8-5-3-4-6-9(8)14(2)12(10)15/h3-6H,1-2H3.
What are the key properties of 3,5-dimethyl-[1,2]oxazolo[4,5-c]quinolin-4-one?
3,5-dimethyl-[1,2]oxazolo[4,5-c]quinolin-4-one has a molecular weight of 214.22 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-[1,2]oxazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 2750999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).