2-(4-oxoquinolin-1-yl)-N-pentylacetamide

C16H20N2O2 — CID 47779055

IUPAC2-(4-oxoquinolin-1-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)Cn1ccc(=O)c2ccccc21
InChIInChI=1S/C16H20N2O2/c1-2-3-6-10-17-16(20)12-18-11-9-15(19)13-7-4-5-8-14(13)18/h4-5,7-9,11H,2-3,6,10,12H2,1H3,(H,17,20)
InChIKeyHJKOVYHAAQUOEY-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.31
Rot. Bonds6

About 2-(4-oxoquinolin-1-yl)-N-pentylacetamide

2-(4-oxoquinolin-1-yl)-N-pentylacetamide (PubChem CID 47779055) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(4-oxoquinolin-1-yl)-N-pentylacetamide.

Molecular Properties

Compound Name2-(4-oxoquinolin-1-yl)-N-pentylacetamide
PubChem CID47779055
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name2-(4-oxoquinolin-1-yl)-N-pentylacetamide
SMILESCCCCCNC(=O)Cn1ccc(=O)c2ccccc21
InChIInChI=1S/C16H20N2O2/c1-2-3-6-10-17-16(20)12-18-11-9-15(19)13-7-4-5-8-14(13)18/h4-5,7-9,11H,2-3,6,10,12H2,1H3,(H,17,20)
InChIKeyHJKOVYHAAQUOEY-UHFFFAOYSA-N
XLogP2.31
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.31
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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Related Compounds

N-butyl-2-(6-chloro-4-oxoquinolin-1-yl)acetamide
CID 100734647
N-(2-hydroxyphenyl)-2-(4-oxoquinolin-1-yl)acetamide
CID 47840872
2-methyl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]butanoic acid
CID 119199302
N-butyl-2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]acetamide
CID 15998064
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 111566129
ethyl 3-oxo-4-(4-oxoquinolin-1-yl)butanoate
CID 63899087
1-(3,3-dimethyl-2-oxobutyl)quinolin-4-one
CID 62024225
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 119526495
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pentylacetamide
CID 18142151
2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide
CID 177420701
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 131906533
N-butan-2-yl-2-[[2-(4-oxoquinolin-1-yl)acetyl]amino]propanamide
CID 51096627

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxoquinolin-1-yl)-N-pentylacetamide?
The IUPAC name of 2-(4-oxoquinolin-1-yl)-N-pentylacetamide (CID 47779055) is 2-(4-oxoquinolin-1-yl)-N-pentylacetamide.
What is the SMILES notation for 2-(4-oxoquinolin-1-yl)-N-pentylacetamide?
The canonical SMILES for 2-(4-oxoquinolin-1-yl)-N-pentylacetamide is CCCCCNC(=O)Cn1ccc(=O)c2ccccc21.
What is the InChIKey of 2-(4-oxoquinolin-1-yl)-N-pentylacetamide?
The InChIKey is HJKOVYHAAQUOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-2-3-6-10-17-16(20)12-18-11-9-15(19)13-7-4-5-8-14(13)18/h4-5,7-9,11H,2-3,6,10,12H2,1H3,(H,17,20).
What are the key properties of 2-(4-oxoquinolin-1-yl)-N-pentylacetamide?
2-(4-oxoquinolin-1-yl)-N-pentylacetamide has a molecular weight of 272.35 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxoquinolin-1-yl)-N-pentylacetamide is sourced from PubChem (CID 47779055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).