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

C22H24N2O3 — CID 54678835

IUPAC1-butyl-N-(2,3-dimethylphenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)Nc2cccc(C)c2C)c(O)c2ccccc21
InChIInChI=1S/C22H24N2O3/c1-4-5-13-24-18-12-7-6-10-16(18)20(25)19(22(24)27)21(26)23-17-11-8-9-14(2)15(17)3/h6-12,25H,4-5,13H2,1-3H3,(H,23,26)
InChIKeySDSFUNNPJDIOGL-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.38
Rot. Bonds5

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

1-butyl-N-(2,3-dimethylphenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide (PubChem CID 54678835) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1-butyl-N-(2,3-dimethylphenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(2,3-dimethylphenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
PubChem CID54678835
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name1-butyl-N-(2,3-dimethylphenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)Nc2cccc(C)c2C)c(O)c2ccccc21
InChIInChI=1S/C22H24N2O3/c1-4-5-13-24-18-12-7-6-10-16(18)20(25)19(22(24)27)21(26)23-17-11-8-9-14(2)15(17)3/h6-12,25H,4-5,13H2,1-3H3,(H,23,26)
InChIKeySDSFUNNPJDIOGL-UHFFFAOYSA-N
XLogP4.38
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-(2-methylphenyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54684059
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
1-butyl-4-hydroxy-N-(3-methyl-2-pyridinyl)-2-oxoquinoline-3-carboxamide
CID 54676094
N-(2,6-dimethylphenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54678843
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-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54687815
N-(2-cyanophenyl)-4-hydroxy-2-oxo-1-propylquinoline-3-carboxamide
CID 54678204
N-(4-fluorophenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680778
1-butyl-4-hydroxy-2-oxo-N-(4-propoxyphenyl)quinoline-3-carboxamide
CID 54686346

Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2,3-dimethylphenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide?
The IUPAC name of 1-butyl-N-(2,3-dimethylphenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide (CID 54678835) is 1-butyl-N-(2,3-dimethylphenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(2,3-dimethylphenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-butyl-N-(2,3-dimethylphenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide is CCCCn1c(=O)c(C(=O)Nc2cccc(C)c2C)c(O)c2ccccc21.
What is the InChIKey of 1-butyl-N-(2,3-dimethylphenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide?
The InChIKey is SDSFUNNPJDIOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-4-5-13-24-18-12-7-6-10-16(18)20(25)19(22(24)27)21(26)23-17-11-8-9-14(2)15(17)3/h6-12,25H,4-5,13H2,1-3H3,(H,23,26).
What are the key properties of 1-butyl-N-(2,3-dimethylphenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide?
1-butyl-N-(2,3-dimethylphenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-(2,3-dimethylphenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54678835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).