8-hydroxy-5-(2-methylbutan-2-yl)-1H-quinolin-2-one

C14H17NO2 — CID 70668370

IUPAC8-hydroxy-5-(2-methylbutan-2-yl)-1H-quinolin-2-one
SMILESCCC(C)(C)c1ccc(O)c2[nH]c(=O)ccc12
InChIInChI=1S/C14H17NO2/c1-4-14(2,3)10-6-7-11(16)13-9(10)5-8-12(17)15-13/h5-8,16H,4H2,1-3H3,(H,15,17)
InChIKeyCULFWKFTKDZSNA-UHFFFAOYSA-N
MW231.29 g/mol
LogP2.92
Rot. Bonds2

About 8-hydroxy-5-(2-methylbutan-2-yl)-1H-quinolin-2-one

8-hydroxy-5-(2-methylbutan-2-yl)-1H-quinolin-2-one (PubChem CID 70668370) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 8-hydroxy-5-(2-methylbutan-2-yl)-1H-quinolin-2-one.

Molecular Properties

Compound Name8-hydroxy-5-(2-methylbutan-2-yl)-1H-quinolin-2-one
PubChem CID70668370
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name8-hydroxy-5-(2-methylbutan-2-yl)-1H-quinolin-2-one
SMILESCCC(C)(C)c1ccc(O)c2[nH]c(=O)ccc12
InChIInChI=1S/C14H17NO2/c1-4-14(2,3)10-6-7-11(16)13-9(10)5-8-12(17)15-13/h5-8,16H,4H2,1-3H3,(H,15,17)
InChIKeyCULFWKFTKDZSNA-UHFFFAOYSA-N
XLogP2.92
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

8-hydroxy-5-[(1S)-1-hydroxypropyl]-1H-quinolin-2-one
CID 143600392
5-(1-aminoethyl)-8-hydroxy-1H-quinolin-2-one;hydrochloride
CID 70411670
5-bromo-8-hydroxy-1H-quinolin-2-one
CID 71742507
5-[(1R)-2-amino-1-ethoxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 122698087
bis(8-hydroxy-5-[1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one);hydrate;dihydrochloride
CID 66958037
5-[2-[(1-amino-2-methylpropan-2-yl)amino]-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 10827434
3-hydroxy-6-(2-methylbutan-2-yl)-1H-pyridin-2-one
CID 174114069
8-hydroxy-5-[1-hydroxy-2-(propylamino)ethyl]-1H-quinolin-2-one
CID 100988088
[(1R,2S)-1-hydroxy-1-(8-hydroxy-2-oxo-1H-quinolin-5-yl)butan-2-yl]-propan-2-ylazanium
CID 6921794
8-hydroxy-5-[(1R,2S)-1-hydroxy-2-(propan-2-ylamino)butyl]-1H-quinolin-2-one
CID 688561
5-[2-(decylamino)-1-hydroxyethyl]-8-hydroxy-1H-quinolin-2-one
CID 91244472
5-[[2-(8-hydroxy-2-oxo-1H-quinolin-5-yl)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]thiophene-2-carboxylic acid
CID 134181837

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-5-(2-methylbutan-2-yl)-1H-quinolin-2-one?
The IUPAC name of 8-hydroxy-5-(2-methylbutan-2-yl)-1H-quinolin-2-one (CID 70668370) is 8-hydroxy-5-(2-methylbutan-2-yl)-1H-quinolin-2-one.
What is the SMILES notation for 8-hydroxy-5-(2-methylbutan-2-yl)-1H-quinolin-2-one?
The canonical SMILES for 8-hydroxy-5-(2-methylbutan-2-yl)-1H-quinolin-2-one is CCC(C)(C)c1ccc(O)c2[nH]c(=O)ccc12.
What is the InChIKey of 8-hydroxy-5-(2-methylbutan-2-yl)-1H-quinolin-2-one?
The InChIKey is CULFWKFTKDZSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-4-14(2,3)10-6-7-11(16)13-9(10)5-8-12(17)15-13/h5-8,16H,4H2,1-3H3,(H,15,17).
What are the key properties of 8-hydroxy-5-(2-methylbutan-2-yl)-1H-quinolin-2-one?
8-hydroxy-5-(2-methylbutan-2-yl)-1H-quinolin-2-one has a molecular weight of 231.29 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-5-(2-methylbutan-2-yl)-1H-quinolin-2-one is sourced from PubChem (CID 70668370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).