N-heptyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide

C18H24N2O3 — CID 54693782

IUPACN-heptyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
SMILESCCCCCCCNC(=O)Cc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C18H24N2O3/c1-2-3-4-5-8-11-19-16(21)12-14-17(22)13-9-6-7-10-15(13)20-18(14)23/h6-7,9-10H,2-5,8,11-12H2,1H3,(H,19,21)(H2,20,22,23)
InChIKeyZYKNCPDOQKVWEU-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.86
Rot. Bonds8

About N-heptyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide

N-heptyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide (PubChem CID 54693782) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-heptyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide.

Molecular Properties

Compound NameN-heptyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
PubChem CID54693782
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-heptyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
SMILESCCCCCCCNC(=O)Cc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C18H24N2O3/c1-2-3-4-5-8-11-19-16(21)12-14-17(22)13-9-6-7-10-15(13)20-18(14)23/h6-7,9-10H,2-5,8,11-12H2,1H3,(H,19,21)(H2,20,22,23)
InChIKeyZYKNCPDOQKVWEU-UHFFFAOYSA-N
XLogP2.86
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dibutyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
CID 54706987
N-[(2S)-butan-2-yl]-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
CID 129394583
N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)tridecanamide
CID 54678159
N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)hexadecanamide
CID 54704146
N-[(3-fluorophenyl)methyl]-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
CID 54693788
4-hydroxy-2-oxo-N'-undecanoyl-1H-quinoline-3-carbohydrazide
CID 54687081
N-cyclohexyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
CID 54678206
2-naphthalen-1-yl-N-octadecylacetamide
CID 71334923
N-butyl-2-[4-(2,4-dioxo-1H-quinazolin-3-yl)phenyl]acetamide
CID 3600020
(4-hydroxy-2-oxo-1H-quinolin-3-yl)methyl-dipropylazanium
CID 54725203
4-methyl-3-pentyl-1H-quinolin-2-one
CID 46708124
3-heptyl-4-methyl-1H-quinolin-2-one
CID 70126082

Frequently Asked Questions

What is the IUPAC name of N-heptyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide?
The IUPAC name of N-heptyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide (CID 54693782) is N-heptyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide.
What is the SMILES notation for N-heptyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide?
The canonical SMILES for N-heptyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide is CCCCCCCNC(=O)Cc1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of N-heptyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide?
The InChIKey is ZYKNCPDOQKVWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-2-3-4-5-8-11-19-16(21)12-14-17(22)13-9-6-7-10-15(13)20-18(14)23/h6-7,9-10H,2-5,8,11-12H2,1H3,(H,19,21)(H2,20,22,23).
What are the key properties of N-heptyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide?
N-heptyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide has a molecular weight of 316.40 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide is sourced from PubChem (CID 54693782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).