6-tert-butyl-2-ethyl-1H-quinolin-4-one

C15H19NO — CID 43668294

IUPAC6-tert-butyl-2-ethyl-1H-quinolin-4-one
SMILESCCc1cc(=O)c2cc(C(C)(C)C)ccc2[nH]1
InChIInChI=1S/C15H19NO/c1-5-11-9-14(17)12-8-10(15(2,3)4)6-7-13(12)16-11/h6-9H,5H2,1-4H3,(H,16,17)
InChIKeySTNPLANMEPPBKC-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.39
Rot. Bonds1

About 6-tert-butyl-2-ethyl-1H-quinolin-4-one

6-tert-butyl-2-ethyl-1H-quinolin-4-one (PubChem CID 43668294) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 6-tert-butyl-2-ethyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-tert-butyl-2-ethyl-1H-quinolin-4-one
PubChem CID43668294
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name6-tert-butyl-2-ethyl-1H-quinolin-4-one
SMILESCCc1cc(=O)c2cc(C(C)(C)C)ccc2[nH]1
InChIInChI=1S/C15H19NO/c1-5-11-9-14(17)12-8-10(15(2,3)4)6-7-13(12)16-11/h6-9H,5H2,1-4H3,(H,16,17)
InChIKeySTNPLANMEPPBKC-UHFFFAOYSA-N
XLogP3.39
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-ethoxy-2-ethyl-1H-quinolin-4-one
CID 43668050
2-butyl-6-(trifluoromethyl)-1H-quinolin-4-one
CID 162537419
6-(difluoromethoxy)-2-ethyl-1H-quinolin-4-one
CID 43668344
6-tert-butyl-2-(4-hydroxyphenyl)-1H-quinolin-4-one
CID 10541755
2-[4-oxo-6-(trifluoromethyl)-1H-quinolin-2-yl]acetamide
CID 25174759
2-(4-tert-butyl-2-ethylphenyl)-1H-quinolin-4-one
CID 169256836
6-tert-butyl-2,3-dimethyl-1H-quinolin-4-one
CID 54891238
N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 99820895
N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-2-phenylsulfanylacetamide
CID 75401152
N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-5-fluoropyridine-3-carboxamide
CID 75501253
6-bromo-2-butyl-1H-quinolin-4-one
CID 155408645
7-tert-butyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one
CID 58759349

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-ethyl-1H-quinolin-4-one?
The IUPAC name of 6-tert-butyl-2-ethyl-1H-quinolin-4-one (CID 43668294) is 6-tert-butyl-2-ethyl-1H-quinolin-4-one.
What is the SMILES notation for 6-tert-butyl-2-ethyl-1H-quinolin-4-one?
The canonical SMILES for 6-tert-butyl-2-ethyl-1H-quinolin-4-one is CCc1cc(=O)c2cc(C(C)(C)C)ccc2[nH]1.
What is the InChIKey of 6-tert-butyl-2-ethyl-1H-quinolin-4-one?
The InChIKey is STNPLANMEPPBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-5-11-9-14(17)12-8-10(15(2,3)4)6-7-13(12)16-11/h6-9H,5H2,1-4H3,(H,16,17).
What are the key properties of 6-tert-butyl-2-ethyl-1H-quinolin-4-one?
6-tert-butyl-2-ethyl-1H-quinolin-4-one has a molecular weight of 229.32 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-ethyl-1H-quinolin-4-one is sourced from PubChem (CID 43668294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).