8-tert-butyl-3H-quinolin-4-one

C13H15NO — CID 167588392

IUPAC8-tert-butyl-3H-quinolin-4-one
SMILESCC(C)(C)c1cccc2c1N=CCC2=O
InChIInChI=1S/C13H15NO/c1-13(2,3)10-6-4-5-9-11(15)7-8-14-12(9)10/h4-6,8H,7H2,1-3H3
InChIKeyUSCGLBZSULCABM-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.27
Rot. Bonds

About 8-tert-butyl-3H-quinolin-4-one

8-tert-butyl-3H-quinolin-4-one (PubChem CID 167588392) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 8-tert-butyl-3H-quinolin-4-one.

Molecular Properties

Compound Name8-tert-butyl-3H-quinolin-4-one
PubChem CID167588392
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name8-tert-butyl-3H-quinolin-4-one
SMILESCC(C)(C)c1cccc2c1N=CCC2=O
InChIInChI=1S/C13H15NO/c1-13(2,3)10-6-4-5-9-11(15)7-8-14-12(9)10/h4-6,8H,7H2,1-3H3
InChIKeyUSCGLBZSULCABM-UHFFFAOYSA-N
XLogP3.27
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-tert-butyl-3H-quinolin-4-one?
The IUPAC name of 8-tert-butyl-3H-quinolin-4-one (CID 167588392) is 8-tert-butyl-3H-quinolin-4-one.
What is the SMILES notation for 8-tert-butyl-3H-quinolin-4-one?
The canonical SMILES for 8-tert-butyl-3H-quinolin-4-one is CC(C)(C)c1cccc2c1N=CCC2=O.
What is the InChIKey of 8-tert-butyl-3H-quinolin-4-one?
The InChIKey is USCGLBZSULCABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-13(2,3)10-6-4-5-9-11(15)7-8-14-12(9)10/h4-6,8H,7H2,1-3H3.
What are the key properties of 8-tert-butyl-3H-quinolin-4-one?
8-tert-butyl-3H-quinolin-4-one has a molecular weight of 201.27 g/mol, XLogP of 3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-tert-butyl-3H-quinolin-4-one is sourced from PubChem (CID 167588392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).