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

C13H12N2O2 — CID 608301

IUPAC2-propyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCCCc1nc2c(=O)[nH]c3ccccc3c2o1
InChIInChI=1S/C13H12N2O2/c1-2-5-10-15-11-12(17-10)8-6-3-4-7-9(8)14-13(11)16/h3-4,6-7H,2,5H2,1H3,(H,14,16)
InChIKeyWHTFZCDVWWLIFK-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.62
Rot. Bonds2

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

2-propyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one (PubChem CID 608301) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-propyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one.

Molecular Properties

Compound Name2-propyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one
PubChem CID608301
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name2-propyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one
SMILESCCCc1nc2c(=O)[nH]c3ccccc3c2o1
InChIInChI=1S/C13H12N2O2/c1-2-5-10-15-11-12(17-10)8-6-3-4-7-9(8)14-13(11)16/h3-4,6-7H,2,5H2,1H3,(H,14,16)
InChIKeyWHTFZCDVWWLIFK-UHFFFAOYSA-N
XLogP2.62
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one?
The IUPAC name of 2-propyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one (CID 608301) is 2-propyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one.
What is the SMILES notation for 2-propyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one?
The canonical SMILES for 2-propyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one is CCCc1nc2c(=O)[nH]c3ccccc3c2o1.
What is the InChIKey of 2-propyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one?
The InChIKey is WHTFZCDVWWLIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-2-5-10-15-11-12(17-10)8-6-3-4-7-9(8)14-13(11)16/h3-4,6-7H,2,5H2,1H3,(H,14,16).
What are the key properties of 2-propyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one?
2-propyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one has a molecular weight of 228.25 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5H-[1,3]oxazolo[4,5-c]quinolin-4-one is sourced from PubChem (CID 608301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).