1-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide

C19H17FN2O3 — CID 44590250

IUPAC1-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide
SMILESO=C(NCCO)c1cn(Cc2ccc(F)cc2)c2ccccc2c1=O
InChIInChI=1S/C19H17FN2O3/c20-14-7-5-13(6-8-14)11-22-12-16(19(25)21-9-10-23)18(24)15-3-1-2-4-17(15)22/h1-8,12,23H,9-11H2,(H,21,25)
InChIKeyWHYNPADTGLDBFN-UHFFFAOYSA-N
MW340.35 g/mol
LogP1.91
Rot. Bonds5

About 1-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide

1-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide (PubChem CID 44590250) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide
PubChem CID44590250
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name1-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide
SMILESO=C(NCCO)c1cn(Cc2ccc(F)cc2)c2ccccc2c1=O
InChIInChI=1S/C19H17FN2O3/c20-14-7-5-13(6-8-14)11-22-12-16(19(25)21-9-10-23)18(24)15-3-1-2-4-17(15)22/h1-8,12,23H,9-11H2,(H,21,25)
InChIKeyWHYNPADTGLDBFN-UHFFFAOYSA-N
XLogP1.91
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide (CID 44590250) is 1-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide is O=C(NCCO)c1cn(Cc2ccc(F)cc2)c2ccccc2c1=O.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide?
The InChIKey is WHYNPADTGLDBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c20-14-7-5-13(6-8-14)11-22-12-16(19(25)21-9-10-23)18(24)15-3-1-2-4-17(15)22/h1-8,12,23H,9-11H2,(H,21,25).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide?
1-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 44590250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).