N-(2,5-dimethylphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide

C24H28N2O3 — CID 54677434

IUPACN-(2,5-dimethylphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCCCCCn1c(=O)c(C(=O)Nc2cc(C)ccc2C)c(O)c2ccccc21
InChIInChI=1S/C24H28N2O3/c1-4-5-6-9-14-26-20-11-8-7-10-18(20)22(27)21(24(26)29)23(28)25-19-15-16(2)12-13-17(19)3/h7-8,10-13,15,27H,4-6,9,14H2,1-3H3,(H,25,28)
InChIKeyXYKOAYLTAVWVBD-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.16
Rot. Bonds7

About N-(2,5-dimethylphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide

N-(2,5-dimethylphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide (PubChem CID 54677434) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
PubChem CID54677434
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC NameN-(2,5-dimethylphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCCCCCn1c(=O)c(C(=O)Nc2cc(C)ccc2C)c(O)c2ccccc21
InChIInChI=1S/C24H28N2O3/c1-4-5-6-9-14-26-20-11-8-7-10-18(20)22(27)21(24(26)29)23(28)25-19-15-16(2)12-13-17(19)3/h7-8,10-13,15,27H,4-6,9,14H2,1-3H3,(H,25,28)
InChIKeyXYKOAYLTAVWVBD-UHFFFAOYSA-N
XLogP5.16
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.16
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

4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide
CID 54678423
N-(3,5-dimethylphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54698348
4-hydroxy-N-(2-methylphenyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54684059
1-butyl-N-(2,3-dimethylphenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54678835
N-(2,3-dichlorophenyl)-4-hydroxy-1-octyl-2-oxoquinoline-3-carboxamide
CID 54686345
N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54679528
N-(4-fluorophenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680778
N-(5-chloro-2-methoxyphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54683270
1-butyl-4-hydroxy-N-(2-methoxyphenyl)-2-oxoquinoline-3-carboxamide
CID 54676325
N-(5-chloro-2-methoxyphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54679620
N-[(Z)-butan-2-ylideneamino]-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 98294771
1-butyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide
CID 54676094

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide (CID 54677434) is N-(2,5-dimethylphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide is CCCCCCn1c(=O)c(C(=O)Nc2cc(C)ccc2C)c(O)c2ccccc21.
What is the InChIKey of N-(2,5-dimethylphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The InChIKey is XYKOAYLTAVWVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-4-5-6-9-14-26-20-11-8-7-10-18(20)22(27)21(24(26)29)23(28)25-19-15-16(2)12-13-17(19)3/h7-8,10-13,15,27H,4-6,9,14H2,1-3H3,(H,25,28).
What are the key properties of N-(2,5-dimethylphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
N-(2,5-dimethylphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 5.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54677434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).