2-(2-butan-2-yl-1,3-oxazol-4-yl)-7,8-dimethyl-1H-quinolin-4-one

C18H20N2O2 — CID 143960596

IUPAC2-(2-butan-2-yl-1,3-oxazol-4-yl)-7,8-dimethyl-1H-quinolin-4-one
SMILESCCC(C)c1nc(-c2cc(=O)c3ccc(C)c(C)c3[nH]2)co1
InChIInChI=1S/C18H20N2O2/c1-5-10(2)18-20-15(9-22-18)14-8-16(21)13-7-6-11(3)12(4)17(13)19-14/h6-10H,5H2,1-4H3,(H,19,21)
InChIKeyMCTALMXBEMHMIR-UHFFFAOYSA-N
MW296.37 g/mol
LogP4.31
Rot. Bonds3

About 2-(2-butan-2-yl-1,3-oxazol-4-yl)-7,8-dimethyl-1H-quinolin-4-one

2-(2-butan-2-yl-1,3-oxazol-4-yl)-7,8-dimethyl-1H-quinolin-4-one (PubChem CID 143960596) has the molecular formula C18H20N2O2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-(2-butan-2-yl-1,3-oxazol-4-yl)-7,8-dimethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-(2-butan-2-yl-1,3-oxazol-4-yl)-7,8-dimethyl-1H-quinolin-4-one
PubChem CID143960596
Molecular FormulaC18H20N2O2
Molecular Weight296.37 g/mol
Exact Mass296.15
IUPAC Name2-(2-butan-2-yl-1,3-oxazol-4-yl)-7,8-dimethyl-1H-quinolin-4-one
SMILESCCC(C)c1nc(-c2cc(=O)c3ccc(C)c(C)c3[nH]2)co1
InChIInChI=1S/C18H20N2O2/c1-5-10(2)18-20-15(9-22-18)14-8-16(21)13-7-6-11(3)12(4)17(13)19-14/h6-10H,5H2,1-4H3,(H,19,21)
InChIKeyMCTALMXBEMHMIR-UHFFFAOYSA-N
XLogP4.31
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-yl-1,3-oxazol-4-yl)-7,8-dimethyl-1H-quinolin-4-one?
The IUPAC name of 2-(2-butan-2-yl-1,3-oxazol-4-yl)-7,8-dimethyl-1H-quinolin-4-one (CID 143960596) is 2-(2-butan-2-yl-1,3-oxazol-4-yl)-7,8-dimethyl-1H-quinolin-4-one.
What is the SMILES notation for 2-(2-butan-2-yl-1,3-oxazol-4-yl)-7,8-dimethyl-1H-quinolin-4-one?
The canonical SMILES for 2-(2-butan-2-yl-1,3-oxazol-4-yl)-7,8-dimethyl-1H-quinolin-4-one is CCC(C)c1nc(-c2cc(=O)c3ccc(C)c(C)c3[nH]2)co1.
What is the InChIKey of 2-(2-butan-2-yl-1,3-oxazol-4-yl)-7,8-dimethyl-1H-quinolin-4-one?
The InChIKey is MCTALMXBEMHMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2/c1-5-10(2)18-20-15(9-22-18)14-8-16(21)13-7-6-11(3)12(4)17(13)19-14/h6-10H,5H2,1-4H3,(H,19,21).
What are the key properties of 2-(2-butan-2-yl-1,3-oxazol-4-yl)-7,8-dimethyl-1H-quinolin-4-one?
2-(2-butan-2-yl-1,3-oxazol-4-yl)-7,8-dimethyl-1H-quinolin-4-one has a molecular weight of 296.37 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-yl-1,3-oxazol-4-yl)-7,8-dimethyl-1H-quinolin-4-one is sourced from PubChem (CID 143960596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).