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

C13H12N2O3 — CID 2786817

IUPAC3-ethoxy-5-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one
SMILESCCOc1onc2c1c(=O)n(C)c1ccccc21
InChIInChI=1S/C13H12N2O3/c1-3-17-13-10-11(14-18-13)8-6-4-5-7-9(8)15(2)12(10)16/h4-7H,3H2,1-2H3
InChIKeyZTCZENCAYBNTSB-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.08
Rot. Bonds2

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

3-ethoxy-5-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one (PubChem CID 2786817) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-ethoxy-5-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one.

Molecular Properties

Compound Name3-ethoxy-5-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one
PubChem CID2786817
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name3-ethoxy-5-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one
SMILESCCOc1onc2c1c(=O)n(C)c1ccccc21
InChIInChI=1S/C13H12N2O3/c1-3-17-13-10-11(14-18-13)8-6-4-5-7-9(8)15(2)12(10)16/h4-7H,3H2,1-2H3
InChIKeyZTCZENCAYBNTSB-UHFFFAOYSA-N
XLogP2.08
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-[1,2,5]oxadiazolo[3,4-c]quinolin-4-one
CID 2785867
3,5-dimethyl-[1,2]oxazolo[4,5-c]quinolin-4-one
CID 2750999
2-anilino-3-(4-ethoxyphenyl)-5-methylfuro[3,2-c]quinolin-4-one
CID 18887696
3-butoxy-4-hydroxy-1-methylquinolin-2-one
CID 140995416
9-ethoxy-5-methylcyclohepta[b]indol-6-one
CID 139810045
3-diethoxyphosphoryl-4-hydroxy-1-methylquinolin-2-one
CID 54680599
3-chloro-1,4-dimethylquinolin-2-one
CID 15643026
5-methyl-1,2-dihydropyrazolo[4,3-c]quinoline-3,4-dione
CID 10242373
5-ethoxy-4-methoxy-11-methyl-[1,3]dioxolo[4,5-c]acridin-6-one
CID 628514
sodium 3-ethoxycarbonyl-1-methyl-2-oxoquinolin-4-olate
CID 134113066
4-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 140979748
5-methylbenzimidazolo[2,1-b]quinazolin-12-one
CID 13458566

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one?
The IUPAC name of 3-ethoxy-5-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one (CID 2786817) is 3-ethoxy-5-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one.
What is the SMILES notation for 3-ethoxy-5-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one?
The canonical SMILES for 3-ethoxy-5-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one is CCOc1onc2c1c(=O)n(C)c1ccccc21.
What is the InChIKey of 3-ethoxy-5-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one?
The InChIKey is ZTCZENCAYBNTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-3-17-13-10-11(14-18-13)8-6-4-5-7-9(8)15(2)12(10)16/h4-7H,3H2,1-2H3.
What are the key properties of 3-ethoxy-5-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one?
3-ethoxy-5-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one has a molecular weight of 244.25 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-methyl-[1,2]oxazolo[4,3-c]quinolin-4-one is sourced from PubChem (CID 2786817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).