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

C25H38N2O3 — CID 54704146

IUPACN-(4-hydroxy-2-oxo-1H-quinolin-3-yl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)Nc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C25H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-22(28)27-23-24(29)20-17-15-16-18-21(20)26-25(23)30/h15-18H,2-14,19H2,1H3,(H,27,28)(H2,26,29,30)
InChIKeyUAJPPQYHAXPBMV-UHFFFAOYSA-N
MW414.59 g/mol
LogP6.65
Rot. Bonds15

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

N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)hexadecanamide (PubChem CID 54704146) has the molecular formula C25H38N2O3 and a molecular weight of 414.59 g/mol. Its IUPAC name is N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)hexadecanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-oxo-1H-quinolin-3-yl)hexadecanamide
PubChem CID54704146
Molecular FormulaC25H38N2O3
Molecular Weight414.59 g/mol
Exact Mass414.29
IUPAC NameN-(4-hydroxy-2-oxo-1H-quinolin-3-yl)hexadecanamide
SMILESCCCCCCCCCCCCCCCC(=O)Nc1c(O)c2ccccc2[nH]c1=O
InChIInChI=1S/C25H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-22(28)27-23-24(29)20-17-15-16-18-21(20)26-25(23)30/h15-18H,2-14,19H2,1H3,(H,27,28)(H2,26,29,30)
InChIKeyUAJPPQYHAXPBMV-UHFFFAOYSA-N
XLogP6.65
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 56.65
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-(4-hydroxy-2-oxo-1H-quinolin-3-yl)tridecanamide
CID 54678159
N-(2-methyl-1H-indol-3-yl)octanamide
CID 146096464
4-hydroxy-2-oxo-N'-undecanoyl-1H-quinoline-3-carbohydrazide
CID 54687081
N-heptyl-2-(4-hydroxy-2-oxo-1H-quinolin-3-yl)acetamide
CID 54693782
(4-hydroxy-2-oxo-1H-quinolin-3-yl)carbamodithioic acid
CID 175845399
N-naphthalen-1-yldodecanamide
CID 588517
N-(2,6-dimethylphenyl)tetradecanamide
CID 54789598
1-(dodecanoylamino)naphthalene-2-carboxylic acid
CID 21470620
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
N-(2,6-dichlorophenyl)decanamide
CID 3269237
N-(1H-benzimidazol-2-yl)undecanamide
CID 5093764

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)hexadecanamide?
The IUPAC name of N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)hexadecanamide (CID 54704146) is N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)hexadecanamide.
What is the SMILES notation for N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)hexadecanamide?
The canonical SMILES for N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)hexadecanamide is CCCCCCCCCCCCCCCC(=O)Nc1c(O)c2ccccc2[nH]c1=O.
What is the InChIKey of N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)hexadecanamide?
The InChIKey is UAJPPQYHAXPBMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-22(28)27-23-24(29)20-17-15-16-18-21(20)26-25(23)30/h15-18H,2-14,19H2,1H3,(H,27,28)(H2,26,29,30).
What are the key properties of N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)hexadecanamide?
N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)hexadecanamide has a molecular weight of 414.59 g/mol, XLogP of 6.65, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-oxo-1H-quinolin-3-yl)hexadecanamide is sourced from PubChem (CID 54704146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).