N-(5-chloro-2-methoxyphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide

C23H25ClN2O4 — CID 54683270

IUPACN-(5-chloro-2-methoxyphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCCCCCn1c(=O)c(C(=O)Nc2cc(Cl)ccc2OC)c(O)c2ccccc21
InChIInChI=1S/C23H25ClN2O4/c1-3-4-5-8-13-26-18-10-7-6-9-16(18)21(27)20(23(26)29)22(28)25-17-14-15(24)11-12-19(17)30-2/h6-7,9-12,14,27H,3-5,8,13H2,1-2H3,(H,25,28)
InChIKeyHCHGETSNGZVTKO-UHFFFAOYSA-N
MW428.92 g/mol
LogP5.20
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide

N-(5-chloro-2-methoxyphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide (PubChem CID 54683270) has the molecular formula C23H25ClN2O4 and a molecular weight of 428.92 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
PubChem CID54683270
Molecular FormulaC23H25ClN2O4
Molecular Weight428.92 g/mol
Exact Mass428.15
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCCCCCn1c(=O)c(C(=O)Nc2cc(Cl)ccc2OC)c(O)c2ccccc21
InChIInChI=1S/C23H25ClN2O4/c1-3-4-5-8-13-26-18-10-7-6-9-16(18)21(27)20(23(26)29)22(28)25-17-14-15(24)11-12-19(17)30-2/h6-7,9-12,14,27H,3-5,8,13H2,1-2H3,(H,25,28)
InChIKeyHCHGETSNGZVTKO-UHFFFAOYSA-N
XLogP5.20
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.92
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54679620
1-butyl-4-hydroxy-N-(2-methoxyphenyl)-2-oxoquinoline-3-carboxamide
CID 54676325
N-(2,3-dichlorophenyl)-4-hydroxy-1-octyl-2-oxoquinoline-3-carboxamide
CID 54686345
N-(2,5-dimethylphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54677434
N-(2,4-dichlorophenyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54685317
N-(3,5-dimethylphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54698348
1-butyl-4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 54687870
N-(4-fluorophenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680778
N-(4-ethoxyphenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54681664
4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide
CID 54678423
1-butyl-N-(2,3-dimethylphenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54678835
N-(5-chloro-2-methoxyphenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 6617080

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide (CID 54683270) is N-(5-chloro-2-methoxyphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide is CCCCCCn1c(=O)c(C(=O)Nc2cc(Cl)ccc2OC)c(O)c2ccccc21.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The InChIKey is HCHGETSNGZVTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O4/c1-3-4-5-8-13-26-18-10-7-6-9-16(18)21(27)20(23(26)29)22(28)25-17-14-15(24)11-12-19(17)30-2/h6-7,9-12,14,27H,3-5,8,13H2,1-2H3,(H,25,28).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
N-(5-chloro-2-methoxyphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide has a molecular weight of 428.92 g/mol, XLogP of 5.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54683270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).