4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide

C22H24N2O3 — CID 54678423

IUPAC4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide
SMILESCCCCCn1c(=O)c(C(=O)Nc2cccc(C)c2)c(O)c2ccccc21
InChIInChI=1S/C22H24N2O3/c1-3-4-7-13-24-18-12-6-5-11-17(18)20(25)19(22(24)27)21(26)23-16-10-8-9-15(2)14-16/h5-6,8-12,14,25H,3-4,7,13H2,1-2H3,(H,23,26)
InChIKeyCLODMSNWJKAEQT-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.46
Rot. Bonds6

About 4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide

4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide (PubChem CID 54678423) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide
PubChem CID54678423
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide
SMILESCCCCCn1c(=O)c(C(=O)Nc2cccc(C)c2)c(O)c2ccccc21
InChIInChI=1S/C22H24N2O3/c1-3-4-7-13-24-18-12-6-5-11-17(18)20(25)19(22(24)27)21(26)23-16-10-8-9-15(2)14-16/h5-6,8-12,14,25H,3-4,7,13H2,1-2H3,(H,23,26)
InChIKeyCLODMSNWJKAEQT-UHFFFAOYSA-N
XLogP4.46
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.46
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

N-(3,5-dimethylphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54698348
N-(2,5-dimethylphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54677434
4-hydroxy-2-oxo-1-pentyl-N-pyridin-3-ylquinoline-3-carboxamide
CID 54682093
N-(4-fluorophenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680778
N-(4,6-dimethyl-2-pyridinyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54679528
ethyl 4-[(4-hydroxy-2-oxo-1-pentylquinoline-3-carbonyl)amino]benzoate
CID 54676600
2-butyl-4-[(1-hexyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoic acid
CID 131984445
N-(4-ethoxyphenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54681664
1-butyl-N-(2,3-dimethylphenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54678835
2-benzyl-4-[(1-hexyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoic acid
CID 131984444
N-(2,3-dichlorophenyl)-4-hydroxy-1-octyl-2-oxoquinoline-3-carboxamide
CID 54686345
1-butyl-4-hydroxy-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide
CID 54686346

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide (CID 54678423) is 4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide is CCCCCn1c(=O)c(C(=O)Nc2cccc(C)c2)c(O)c2ccccc21.
What is the InChIKey of 4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide?
The InChIKey is CLODMSNWJKAEQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-3-4-7-13-24-18-12-6-5-11-17(18)20(25)19(22(24)27)21(26)23-16-10-8-9-15(2)14-16/h5-6,8-12,14,25H,3-4,7,13H2,1-2H3,(H,23,26).
What are the key properties of 4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide?
4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide is sourced from PubChem (CID 54678423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).