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

C20H19FN2O3 — CID 54679583

IUPAC1-butyl-N-(2-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)Nc2ccccc2F)c(O)c2ccccc21
InChIInChI=1S/C20H19FN2O3/c1-2-3-12-23-16-11-7-4-8-13(16)18(24)17(20(23)26)19(25)22-15-10-6-5-9-14(15)21/h4-11,24H,2-3,12H2,1H3,(H,22,25)
InChIKeyHMVQWQWQYXZBCW-UHFFFAOYSA-N
MW354.38 g/mol
LogP3.90
Rot. Bonds5

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

1-butyl-N-(2-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide (PubChem CID 54679583) has the molecular formula C20H19FN2O3 and a molecular weight of 354.38 g/mol. Its IUPAC name is 1-butyl-N-(2-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-butyl-N-(2-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
PubChem CID54679583
Molecular FormulaC20H19FN2O3
Molecular Weight354.38 g/mol
Exact Mass354.14
IUPAC Name1-butyl-N-(2-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCCCn1c(=O)c(C(=O)Nc2ccccc2F)c(O)c2ccccc21
InChIInChI=1S/C20H19FN2O3/c1-2-3-12-23-16-11-7-4-8-13(16)18(24)17(20(23)26)19(25)22-15-10-6-5-9-14(15)21/h4-11,24H,2-3,12H2,1H3,(H,22,25)
InChIKeyHMVQWQWQYXZBCW-UHFFFAOYSA-N
XLogP3.90
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-(2-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide?
The IUPAC name of 1-butyl-N-(2-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide (CID 54679583) is 1-butyl-N-(2-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-butyl-N-(2-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-butyl-N-(2-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide is CCCCn1c(=O)c(C(=O)Nc2ccccc2F)c(O)c2ccccc21.
What is the InChIKey of 1-butyl-N-(2-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide?
The InChIKey is HMVQWQWQYXZBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3/c1-2-3-12-23-16-11-7-4-8-13(16)18(24)17(20(23)26)19(25)22-15-10-6-5-9-14(15)21/h4-11,24H,2-3,12H2,1H3,(H,22,25).
What are the key properties of 1-butyl-N-(2-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide?
1-butyl-N-(2-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide has a molecular weight of 354.38 g/mol, XLogP of 3.90, 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-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54679583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).