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

C18H15FN2O3 — CID 54678823

IUPAC1-ethyl-N-(3-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2cccc(F)c2)c(O)c2ccccc21
InChIInChI=1S/C18H15FN2O3/c1-2-21-14-9-4-3-8-13(14)16(22)15(18(21)24)17(23)20-12-7-5-6-11(19)10-12/h3-10,22H,2H2,1H3,(H,20,23)
InChIKeyRDKDDWFWSVYAGK-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.12
Rot. Bonds3

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

1-ethyl-N-(3-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide (PubChem CID 54678823) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is 1-ethyl-N-(3-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(3-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
PubChem CID54678823
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name1-ethyl-N-(3-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2cccc(F)c2)c(O)c2ccccc21
InChIInChI=1S/C18H15FN2O3/c1-2-21-14-9-4-3-8-13(14)16(22)15(18(21)24)17(23)20-12-7-5-6-11(19)10-12/h3-10,22H,2H2,1H3,(H,20,23)
InChIKeyRDKDDWFWSVYAGK-UHFFFAOYSA-N
XLogP3.12
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-hydroxy-N-(3-methoxyphenyl)-2-oxoquinoline-3-carboxamide
CID 54679068
N-(2,6-dimethyl-4-pyridinyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54698889
methyl 4-[(1-ethyl-4-hydroxy-2-oxoquinoline-3-carbonyl)amino]benzoate
CID 54679619
4-hydroxy-N-(3-methylphenyl)-2-oxo-1-pentylquinoline-3-carboxamide
CID 54678423
6-bromo-N-(3-fluorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 163937820
1-benzyl-N-(3-fluorophenyl)-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727010
N-(3-chlorophenyl)-4-hydroxy-1-(2-methylpropyl)-2-oxoquinoline-3-carboxamide
CID 54679607
N-(4-fluorophenyl)-1-heptyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54680778
N-(2,4-dichlorophenyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54685317
4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54676449
N-(3-bromophenyl)-4-hydroxy-2-oxo-1-prop-2-enylquinoline-3-carboxamide
CID 54682095
N-(3,5-dimethylphenyl)-4-hydroxy-2-oxo-1-pentylquinoline-3-carboxamide
CID 54698348

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(3-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide?
The IUPAC name of 1-ethyl-N-(3-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide (CID 54678823) is 1-ethyl-N-(3-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(3-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(3-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide is CCn1c(=O)c(C(=O)Nc2cccc(F)c2)c(O)c2ccccc21.
What is the InChIKey of 1-ethyl-N-(3-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide?
The InChIKey is RDKDDWFWSVYAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-2-21-14-9-4-3-8-13(14)16(22)15(18(21)24)17(23)20-12-7-5-6-11(19)10-12/h3-10,22H,2H2,1H3,(H,20,23).
What are the key properties of 1-ethyl-N-(3-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide?
1-ethyl-N-(3-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(3-fluorophenyl)-4-hydroxy-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54678823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).