N-(2,3-dichlorophenyl)-4-hydroxy-1-octyl-2-oxoquinoline-3-carboxamide

C24H26Cl2N2O3 — CID 54686345

IUPACN-(2,3-dichlorophenyl)-4-hydroxy-1-octyl-2-oxoquinoline-3-carboxamide
SMILESCCCCCCCCn1c(=O)c(C(=O)Nc2cccc(Cl)c2Cl)c(O)c2ccccc21
InChIInChI=1S/C24H26Cl2N2O3/c1-2-3-4-5-6-9-15-28-19-14-8-7-11-16(19)22(29)20(24(28)31)23(30)27-18-13-10-12-17(25)21(18)26/h7-8,10-14,29H,2-6,9,15H2,1H3,(H,27,30)
InChIKeyIZADLECLVLKYCW-UHFFFAOYSA-N
MW461.39 g/mol
LogP6.63
Rot. Bonds9

About N-(2,3-dichlorophenyl)-4-hydroxy-1-octyl-2-oxoquinoline-3-carboxamide

N-(2,3-dichlorophenyl)-4-hydroxy-1-octyl-2-oxoquinoline-3-carboxamide (PubChem CID 54686345) has the molecular formula C24H26Cl2N2O3 and a molecular weight of 461.39 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-4-hydroxy-1-octyl-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-4-hydroxy-1-octyl-2-oxoquinoline-3-carboxamide
PubChem CID54686345
Molecular FormulaC24H26Cl2N2O3
Molecular Weight461.39 g/mol
Exact Mass460.13
IUPAC NameN-(2,3-dichlorophenyl)-4-hydroxy-1-octyl-2-oxoquinoline-3-carboxamide
SMILESCCCCCCCCn1c(=O)c(C(=O)Nc2cccc(Cl)c2Cl)c(O)c2ccccc21
InChIInChI=1S/C24H26Cl2N2O3/c1-2-3-4-5-6-9-15-28-19-14-8-7-11-16(19)22(29)20(24(28)31)23(30)27-18-13-10-12-17(25)21(18)26/h7-8,10-14,29H,2-6,9,15H2,1H3,(H,27,30)
InChIKeyIZADLECLVLKYCW-UHFFFAOYSA-N
XLogP6.63
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.39
LogP ≤ 56.63
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-butyl-N-(2,3-dimethylphenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54678835
N-(5-chloro-2-methoxyphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54683270
N-(2,5-dimethylphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54677434
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-(4-fluorophenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680778
4-hydroxy-N-(2-methylphenyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54684059
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
N-(4-ethoxyphenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54681664
1-heptyl-4-hydroxy-2-oxo-N-(1,3-thiazol-2-yl)quinoline-3-carboxamide
CID 89188317
4-hydroxy-2-oxo-1-pentyl-N-pyridin-3-ylquinoline-3-carboxamide
CID 54682093

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-4-hydroxy-1-octyl-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-4-hydroxy-1-octyl-2-oxoquinoline-3-carboxamide (CID 54686345) is N-(2,3-dichlorophenyl)-4-hydroxy-1-octyl-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-4-hydroxy-1-octyl-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-4-hydroxy-1-octyl-2-oxoquinoline-3-carboxamide is CCCCCCCCn1c(=O)c(C(=O)Nc2cccc(Cl)c2Cl)c(O)c2ccccc21.
What is the InChIKey of N-(2,3-dichlorophenyl)-4-hydroxy-1-octyl-2-oxoquinoline-3-carboxamide?
The InChIKey is IZADLECLVLKYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N2O3/c1-2-3-4-5-6-9-15-28-19-14-8-7-11-16(19)22(29)20(24(28)31)23(30)27-18-13-10-12-17(25)21(18)26/h7-8,10-14,29H,2-6,9,15H2,1H3,(H,27,30).
What are the key properties of N-(2,3-dichlorophenyl)-4-hydroxy-1-octyl-2-oxoquinoline-3-carboxamide?
N-(2,3-dichlorophenyl)-4-hydroxy-1-octyl-2-oxoquinoline-3-carboxamide has a molecular weight of 461.39 g/mol, XLogP of 6.63, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-4-hydroxy-1-octyl-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54686345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).