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

C21H22N2O4 — CID 54676325

IUPAC1-butyl-4-hydroxy-N-(2-methoxyphenyl)-2-oxoquinoline-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)Nc2ccccc2OC)c(O)c2ccccc21
InChIInChI=1S/C21H22N2O4/c1-3-4-13-23-16-11-7-5-9-14(16)19(24)18(21(23)26)20(25)22-15-10-6-8-12-17(15)27-2/h5-12,24H,3-4,13H2,1-2H3,(H,22,25)
InChIKeyIGSCYMHWWLMASY-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.77
Rot. Bonds6

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

1-butyl-4-hydroxy-N-(2-methoxyphenyl)-2-oxoquinoline-3-carboxamide (PubChem CID 54676325) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-butyl-4-hydroxy-N-(2-methoxyphenyl)-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-butyl-4-hydroxy-N-(2-methoxyphenyl)-2-oxoquinoline-3-carboxamide
PubChem CID54676325
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name1-butyl-4-hydroxy-N-(2-methoxyphenyl)-2-oxoquinoline-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)Nc2ccccc2OC)c(O)c2ccccc21
InChIInChI=1S/C21H22N2O4/c1-3-4-13-23-16-11-7-5-9-14(16)19(24)18(21(23)26)20(25)22-15-10-6-8-12-17(15)27-2/h5-12,24H,3-4,13H2,1-2H3,(H,22,25)
InChIKeyIGSCYMHWWLMASY-UHFFFAOYSA-N
XLogP3.77
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54679620
N-(5-chloro-2-methoxyphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54683270
1-butyl-4-hydroxy-N-[(2-methoxyphenyl)methyl]-2-oxoquinoline-3-carboxamide
CID 54687870
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
4-hydroxy-N-(2-methylphenyl)-2-oxo-1-propylquinoline-3-carboxamide
CID 54684059
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
N-(2,5-dimethylphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54677434
N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54687815
N-(3,5-dimethylphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54698348
propyl 4-[(1-butyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate
CID 54683102

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-hydroxy-N-(2-methoxyphenyl)-2-oxoquinoline-3-carboxamide?
The IUPAC name of 1-butyl-4-hydroxy-N-(2-methoxyphenyl)-2-oxoquinoline-3-carboxamide (CID 54676325) is 1-butyl-4-hydroxy-N-(2-methoxyphenyl)-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-butyl-4-hydroxy-N-(2-methoxyphenyl)-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-butyl-4-hydroxy-N-(2-methoxyphenyl)-2-oxoquinoline-3-carboxamide is CCCCn1c(=O)c(C(=O)Nc2ccccc2OC)c(O)c2ccccc21.
What is the InChIKey of 1-butyl-4-hydroxy-N-(2-methoxyphenyl)-2-oxoquinoline-3-carboxamide?
The InChIKey is IGSCYMHWWLMASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-3-4-13-23-16-11-7-5-9-14(16)19(24)18(21(23)26)20(25)22-15-10-6-8-12-17(15)27-2/h5-12,24H,3-4,13H2,1-2H3,(H,22,25).
What are the key properties of 1-butyl-4-hydroxy-N-(2-methoxyphenyl)-2-oxoquinoline-3-carboxamide?
1-butyl-4-hydroxy-N-(2-methoxyphenyl)-2-oxoquinoline-3-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-hydroxy-N-(2-methoxyphenyl)-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54676325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).