4-hydroxy-3-propan-2-yl-1H-quinolin-2-one

C12H13NO2 — CID 54684096

IUPAC4-hydroxy-3-propan-2-yl-1H-quinolin-2-one
SMILESCC(C)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C12H13NO2/c1-7(2)10-11(14)8-5-3-4-6-9(8)13-12(10)15/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyHNNFXIWBRSEYNY-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.36
Rot. Bonds1

About 4-hydroxy-3-propan-2-yl-1H-quinolin-2-one

4-hydroxy-3-propan-2-yl-1H-quinolin-2-one (PubChem CID 54684096) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-hydroxy-3-propan-2-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-propan-2-yl-1H-quinolin-2-one
PubChem CID54684096
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name4-hydroxy-3-propan-2-yl-1H-quinolin-2-one
SMILESCC(C)c1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C12H13NO2/c1-7(2)10-11(14)8-5-3-4-6-9(8)13-12(10)15/h3-7H,1-2H3,(H2,13,14,15)
InChIKeyHNNFXIWBRSEYNY-UHFFFAOYSA-N
XLogP2.36
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-propan-2-yl-1H-quinolin-2-one?
The IUPAC name of 4-hydroxy-3-propan-2-yl-1H-quinolin-2-one (CID 54684096) is 4-hydroxy-3-propan-2-yl-1H-quinolin-2-one.
What is the SMILES notation for 4-hydroxy-3-propan-2-yl-1H-quinolin-2-one?
The canonical SMILES for 4-hydroxy-3-propan-2-yl-1H-quinolin-2-one is CC(C)c1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-hydroxy-3-propan-2-yl-1H-quinolin-2-one?
The InChIKey is HNNFXIWBRSEYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7(2)10-11(14)8-5-3-4-6-9(8)13-12(10)15/h3-7H,1-2H3,(H2,13,14,15).
What are the key properties of 4-hydroxy-3-propan-2-yl-1H-quinolin-2-one?
4-hydroxy-3-propan-2-yl-1H-quinolin-2-one has a molecular weight of 203.24 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-propan-2-yl-1H-quinolin-2-one is sourced from PubChem (CID 54684096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).