4-hydroxy-3-propyl-1H-quinolin-2-one

C12H13NO2 — CID 54680429

IUPAC4-hydroxy-3-propyl-1H-quinolin-2-one
SMILESCCCc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C12H13NO2/c1-2-5-9-11(14)8-6-3-4-7-10(8)13-12(9)15/h3-4,6-7H,2,5H2,1H3,(H2,13,14,15)
InChIKeyCKETYLIKMVJPGC-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.19
Rot. Bonds2

About 4-hydroxy-3-propyl-1H-quinolin-2-one

4-hydroxy-3-propyl-1H-quinolin-2-one (PubChem CID 54680429) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-hydroxy-3-propyl-1H-quinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-propyl-1H-quinolin-2-one
PubChem CID54680429
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name4-hydroxy-3-propyl-1H-quinolin-2-one
SMILESCCCc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C12H13NO2/c1-2-5-9-11(14)8-6-3-4-7-10(8)13-12(9)15/h3-4,6-7H,2,5H2,1H3,(H2,13,14,15)
InChIKeyCKETYLIKMVJPGC-UHFFFAOYSA-N
XLogP2.19
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-propyl-1H-quinolin-2-one?
The IUPAC name of 4-hydroxy-3-propyl-1H-quinolin-2-one (CID 54680429) is 4-hydroxy-3-propyl-1H-quinolin-2-one.
What is the SMILES notation for 4-hydroxy-3-propyl-1H-quinolin-2-one?
The canonical SMILES for 4-hydroxy-3-propyl-1H-quinolin-2-one is CCCc1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of 4-hydroxy-3-propyl-1H-quinolin-2-one?
The InChIKey is CKETYLIKMVJPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-2-5-9-11(14)8-6-3-4-7-10(8)13-12(9)15/h3-4,6-7H,2,5H2,1H3,(H2,13,14,15).
What are the key properties of 4-hydroxy-3-propyl-1H-quinolin-2-one?
4-hydroxy-3-propyl-1H-quinolin-2-one has a molecular weight of 203.24 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-propyl-1H-quinolin-2-one is sourced from PubChem (CID 54680429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).