4-hydroxy-2-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide

C23H26N2O3 — CID 54687736

IUPAC4-hydroxy-2-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide
SMILESCCCCCn1c(=O)c(C(=O)NC(C)c2ccccc2)c(O)c2ccccc21
InChIInChI=1S/C23H26N2O3/c1-3-4-10-15-25-19-14-9-8-13-18(19)21(26)20(23(25)28)22(27)24-16(2)17-11-6-5-7-12-17/h5-9,11-14,16,26H,3-4,10,15H2,1-2H3,(H,24,27)
InChIKeyUHOZNJWKHZFOCI-UHFFFAOYSA-N
MW378.47 g/mol
LogP4.39
Rot. Bonds7

About 4-hydroxy-2-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide

4-hydroxy-2-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide (PubChem CID 54687736) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 4-hydroxy-2-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide
PubChem CID54687736
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name4-hydroxy-2-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide
SMILESCCCCCn1c(=O)c(C(=O)NC(C)c2ccccc2)c(O)c2ccccc21
InChIInChI=1S/C23H26N2O3/c1-3-4-10-15-25-19-14-9-8-13-18(19)21(26)20(23(25)28)22(27)24-16(2)17-11-6-5-7-12-17/h5-9,11-14,16,26H,3-4,10,15H2,1-2H3,(H,24,27)
InChIKeyUHOZNJWKHZFOCI-UHFFFAOYSA-N
XLogP4.39
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-cyanoethyl)-4-hydroxy-2-oxo-N-[(1R)-1-phenylethyl]quinoline-3-carboxamide
CID 99806670
4-hydroxy-2-oxo-N-(1-phenylethyl)-1-prop-2-enylquinoline-3-carboxamide
CID 54676603
2-methyl-4-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide
CID 23635897
N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54687815
3-[4-hydroxy-2-oxo-3-(propan-2-ylcarbamoyl)quinolin-1-yl]propanoic acid
CID 71740510
N-(3,5-dimethylphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54698348
N-[2-(diethylamino)ethyl]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54702818
N-[(E)-butan-2-ylideneamino]-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54741755
1-butyl-4-hydroxy-2-oxo-N-(2-phenylethyl)quinoline-3-carboxamide
CID 54682638
N-[(Z)-butan-2-ylideneamino]-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 98294771
N-(4-fluorophenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680778
4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide
CID 54678423

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-2-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide (CID 54687736) is 4-hydroxy-2-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-2-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-2-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide is CCCCCn1c(=O)c(C(=O)NC(C)c2ccccc2)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-2-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide?
The InChIKey is UHOZNJWKHZFOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-3-4-10-15-25-19-14-9-8-13-18(19)21(26)20(23(25)28)22(27)24-16(2)17-11-6-5-7-12-17/h5-9,11-14,16,26H,3-4,10,15H2,1-2H3,(H,24,27).
What are the key properties of 4-hydroxy-2-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide?
4-hydroxy-2-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 4.39, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-oxo-1-pentyl-N-(1-phenylethyl)quinoline-3-carboxamide is sourced from PubChem (CID 54687736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).