3-pentanoyl-1H-quinolin-4-one

C14H15NO2 — CID 44560518

IUPAC3-pentanoyl-1H-quinolin-4-one
SMILESCCCCC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C14H15NO2/c1-2-3-8-13(16)11-9-15-12-7-5-4-6-10(12)14(11)17/h4-7,9H,2-3,8H2,1H3,(H,15,17)
InChIKeyJYKXGGXAKPOFML-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.90
Rot. Bonds4

About 3-pentanoyl-1H-quinolin-4-one

3-pentanoyl-1H-quinolin-4-one (PubChem CID 44560518) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-pentanoyl-1H-quinolin-4-one.

Molecular Properties

Compound Name3-pentanoyl-1H-quinolin-4-one
PubChem CID44560518
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name3-pentanoyl-1H-quinolin-4-one
SMILESCCCCC(=O)c1c[nH]c2ccccc2c1=O
InChIInChI=1S/C14H15NO2/c1-2-3-8-13(16)11-9-15-12-7-5-4-6-10(12)14(11)17/h4-7,9H,2-3,8H2,1H3,(H,15,17)
InChIKeyJYKXGGXAKPOFML-UHFFFAOYSA-N
XLogP2.90
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pentanoyl-1H-quinolin-4-one?
The IUPAC name of 3-pentanoyl-1H-quinolin-4-one (CID 44560518) is 3-pentanoyl-1H-quinolin-4-one.
What is the SMILES notation for 3-pentanoyl-1H-quinolin-4-one?
The canonical SMILES for 3-pentanoyl-1H-quinolin-4-one is CCCCC(=O)c1c[nH]c2ccccc2c1=O.
What is the InChIKey of 3-pentanoyl-1H-quinolin-4-one?
The InChIKey is JYKXGGXAKPOFML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-2-3-8-13(16)11-9-15-12-7-5-4-6-10(12)14(11)17/h4-7,9H,2-3,8H2,1H3,(H,15,17).
What are the key properties of 3-pentanoyl-1H-quinolin-4-one?
3-pentanoyl-1H-quinolin-4-one has a molecular weight of 229.28 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentanoyl-1H-quinolin-4-one is sourced from PubChem (CID 44560518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).