tert-butyl 6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)quinoline-4-carboxylate

C19H22N2O4 — CID 164532573

IUPACtert-butyl 6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)quinoline-4-carboxylate
SMILESCC(C)(C)OC(=O)c1ccnc2ccc(N3CC(C)(C)OC3=O)cc12
InChIInChI=1S/C19H22N2O4/c1-18(2,3)24-16(22)13-8-9-20-15-7-6-12(10-14(13)15)21-11-19(4,5)25-17(21)23/h6-10H,11H2,1-5H3
InChIKeyKZOPURXOAAVAAT-UHFFFAOYSA-N
MW342.40 g/mol
LogP3.93
Rot. Bonds2

About tert-butyl 6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)quinoline-4-carboxylate

tert-butyl 6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)quinoline-4-carboxylate (PubChem CID 164532573) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is tert-butyl 6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)quinoline-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)quinoline-4-carboxylate
PubChem CID164532573
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Nametert-butyl 6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)quinoline-4-carboxylate
SMILESCC(C)(C)OC(=O)c1ccnc2ccc(N3CC(C)(C)OC3=O)cc12
InChIInChI=1S/C19H22N2O4/c1-18(2,3)24-16(22)13-8-9-20-15-7-6-12(10-14(13)15)21-11-19(4,5)25-17(21)23/h6-10H,11H2,1-5H3
InChIKeyKZOPURXOAAVAAT-UHFFFAOYSA-N
XLogP3.93
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)quinoline-4-carboxylate?
The IUPAC name of tert-butyl 6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)quinoline-4-carboxylate (CID 164532573) is tert-butyl 6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)quinoline-4-carboxylate.
What is the SMILES notation for tert-butyl 6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)quinoline-4-carboxylate?
The canonical SMILES for tert-butyl 6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)quinoline-4-carboxylate is CC(C)(C)OC(=O)c1ccnc2ccc(N3CC(C)(C)OC3=O)cc12.
What is the InChIKey of tert-butyl 6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)quinoline-4-carboxylate?
The InChIKey is KZOPURXOAAVAAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-18(2,3)24-16(22)13-8-9-20-15-7-6-12(10-14(13)15)21-11-19(4,5)25-17(21)23/h6-10H,11H2,1-5H3.
What are the key properties of tert-butyl 6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)quinoline-4-carboxylate?
tert-butyl 6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)quinoline-4-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl)quinoline-4-carboxylate is sourced from PubChem (CID 164532573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).