pentyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate

C17H21NO4 — CID 54704266

IUPACpentyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate
SMILESCCCCCOC(=O)Cc1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C17H21NO4/c1-3-4-7-10-22-15(19)11-13-16(20)12-8-5-6-9-14(12)18(2)17(13)21/h5-6,8-9,20H,3-4,7,10-11H2,1-2H3
InChIKeyIDTKUSZGPSQOHO-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.52
Rot. Bonds6

About pentyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate

pentyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate (PubChem CID 54704266) has the molecular formula C17H21NO4 and a molecular weight of 303.36 g/mol. Its IUPAC name is pentyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate.

Molecular Properties

Compound Namepentyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate
PubChem CID54704266
Molecular FormulaC17H21NO4
Molecular Weight303.36 g/mol
Exact Mass303.15
IUPAC Namepentyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate
SMILESCCCCCOC(=O)Cc1c(O)c2ccccc2n(C)c1=O
InChIInChI=1S/C17H21NO4/c1-3-4-7-10-22-15(19)11-13-16(20)12-8-5-6-9-14(12)18(2)17(13)21/h5-6,8-9,20H,3-4,7,10-11H2,1-2H3
InChIKeyIDTKUSZGPSQOHO-UHFFFAOYSA-N
XLogP2.52
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-1-methyl-3-nonylquinolin-2-one
CID 54687613
4-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 140979748
3-butoxy-4-hydroxy-1-methylquinolin-2-one
CID 140995416
methyl 2-(1,4-dimethyl-2-oxoquinolin-3-yl)acetate
CID 13405582
octyl 2-(2-hydroxyphenyl)acetate
CID 174380401
ethyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)propanoate
CID 54696143
ethyl 2-(1-methyl-3-nitro-2-oxoquinolin-4-yl)acetate
CID 2785575
4-hydroxy-1-methyl-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide
CID 54677084
4-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methylquinolin-2-one
CID 54687716
decyl 2-(4-phenylphenyl)acetate
CID 121280824
4-hydroxy-1,3-dipropylquinolin-2-one
CID 54703043
1-hexyl-4-hydroxy-3-prop-2-enoxyquinolin-2-one
CID 54732900

Frequently Asked Questions

What is the IUPAC name of pentyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate?
The IUPAC name of pentyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate (CID 54704266) is pentyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate.
What is the SMILES notation for pentyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate?
The canonical SMILES for pentyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate is CCCCCOC(=O)Cc1c(O)c2ccccc2n(C)c1=O.
What is the InChIKey of pentyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate?
The InChIKey is IDTKUSZGPSQOHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO4/c1-3-4-7-10-22-15(19)11-13-16(20)12-8-5-6-9-14(12)18(2)17(13)21/h5-6,8-9,20H,3-4,7,10-11H2,1-2H3.
What are the key properties of pentyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate?
pentyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate has a molecular weight of 303.36 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)acetate is sourced from PubChem (CID 54704266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).