Alkaloids

1-Methyl-2-pentyl-4(1H)-quinolinone

1-甲基-2-戊基-4(1H)-喹啉酮

PHY-NP-09394 · Natural product research catalog

Catalog number	PHY-NP-09394
CAS number	22048-98-2
Molecular formula	C₁₅H₁₉NO
Molecular weight	229.323 g/mol
Chemical class	Alkaloids
Main reported source	Boronia ternata var. elongata
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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Pack	Price (USD)	Availability	Lead time
5 mg	Request quote	To be confirmed	Confirm in quotation
10 mg	Request quote	To be confirmed	Confirm in quotation
20 mg	Request quote	To be confirmed	Confirm in quotation
50 mg	Request quote	To be confirmed	Confirm in quotation
100 mg	Request quote	To be confirmed	Confirm in quotation

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Product information

1-Methyl-2-pentyl-4(1H)-quinolinone is listed in the Alkaloids section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name	1-methyl-2-pentylquinolin-4-one
SMILES	CCCCCC1=CC(=O)C2=CC=CC=C2N1C
InChIKey	CHULATXGEVFYAJ-UHFFFAOYSA-N
Subclass / scaffold	Tryptophan alkaloids Anthranilic acid alkaloids：Quinoline alkaloids
PubChem CID	21709636

Computed properties

Exact mass (Da)	229.1467	Predicted LogP	3.2712
Predicted TPSA (Å²)	22.0	H-bond donors	0
H-bond acceptors	2	Rotatable bonds	4

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification

Ring count	2
Aromatic rings	2
Fraction Csp³	0.4
Synthetic accessibility score	2.01
QED score	0.737
Lipinski rule violations	0
NPClassifier pathway	Alkaloids
NPClassifier superclass	Tryptophan alkaloids；Anthranilic acid alkaloids
NPClassifier class	Quinoline alkaloids
Parent SMILES	CCCCCc1cc(=O)c2ccccc2n1C
Parent formula	C₁₅H₁₉NO
Parent molecular weight	229.323
Specified stereocenters	0
Unspecified stereocenters	0

Reported natural occurrence

Main reported source	Boronia ternata var. elongata

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references

LOTUS species records	0
LOTUS reference records	0
COCONUT occurrence records	Boronia ternata var. elongata
COCONUT organism records	1
COCONUT identifier	CNP0174423.0

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Documents & specifications

Certificate of analysis (COA)	Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)	Not yet published
Storage / solubility	Product-specific conditions to be confirmed
Shipping	Confirmed with the quotation

Request applicable documentation and handling information before ordering or use.