5-acetyl-8-butoxy-1H-quinolin-2-one

C15H17NO3 — CID 70951558

IUPAC5-acetyl-8-butoxy-1H-quinolin-2-one
SMILESCCCCOc1ccc(C(C)=O)c2ccc(=O)[nH]c12
InChIInChI=1S/C15H17NO3/c1-3-4-9-19-13-7-5-11(10(2)17)12-6-8-14(18)16-15(12)13/h5-8H,3-4,9H2,1-2H3,(H,16,18)
InChIKeyKNMNVWORUXHXJU-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.91
Rot. Bonds5

About 5-acetyl-8-butoxy-1H-quinolin-2-one

5-acetyl-8-butoxy-1H-quinolin-2-one (PubChem CID 70951558) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-acetyl-8-butoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name5-acetyl-8-butoxy-1H-quinolin-2-one
PubChem CID70951558
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name5-acetyl-8-butoxy-1H-quinolin-2-one
SMILESCCCCOc1ccc(C(C)=O)c2ccc(=O)[nH]c12
InChIInChI=1S/C15H17NO3/c1-3-4-9-19-13-7-5-11(10(2)17)12-6-8-14(18)16-15(12)13/h5-8H,3-4,9H2,1-2H3,(H,16,18)
InChIKeyKNMNVWORUXHXJU-UHFFFAOYSA-N
XLogP2.91
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-8-butoxy-1H-quinolin-2-one?
The IUPAC name of 5-acetyl-8-butoxy-1H-quinolin-2-one (CID 70951558) is 5-acetyl-8-butoxy-1H-quinolin-2-one.
What is the SMILES notation for 5-acetyl-8-butoxy-1H-quinolin-2-one?
The canonical SMILES for 5-acetyl-8-butoxy-1H-quinolin-2-one is CCCCOc1ccc(C(C)=O)c2ccc(=O)[nH]c12.
What is the InChIKey of 5-acetyl-8-butoxy-1H-quinolin-2-one?
The InChIKey is KNMNVWORUXHXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-3-4-9-19-13-7-5-11(10(2)17)12-6-8-14(18)16-15(12)13/h5-8H,3-4,9H2,1-2H3,(H,16,18).
What are the key properties of 5-acetyl-8-butoxy-1H-quinolin-2-one?
5-acetyl-8-butoxy-1H-quinolin-2-one has a molecular weight of 259.31 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-8-butoxy-1H-quinolin-2-one is sourced from PubChem (CID 70951558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).