1-benzyl-N-(4-fluorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide

C23H21FN2O3 — CID 54688564

IUPAC1-benzyl-N-(4-fluorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1c(O)c2c(n(Cc3ccccc3)c1=O)CCCC2
InChIInChI=1S/C23H21FN2O3/c24-16-10-12-17(13-11-16)25-22(28)20-21(27)18-8-4-5-9-19(18)26(23(20)29)14-15-6-2-1-3-7-15/h1-3,6-7,10-13,27H,4-5,8-9,14H2,(H,25,28)
InChIKeyVAHFZNMXSLTYPU-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.87
Rot. Bonds4

About 1-benzyl-N-(4-fluorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide

1-benzyl-N-(4-fluorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 54688564) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is 1-benzyl-N-(4-fluorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(4-fluorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID54688564
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name1-benzyl-N-(4-fluorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1c(O)c2c(n(Cc3ccccc3)c1=O)CCCC2
InChIInChI=1S/C23H21FN2O3/c24-16-10-12-17(13-11-16)25-22(28)20-21(27)18-8-4-5-9-19(18)26(23(20)29)14-15-6-2-1-3-7-15/h1-3,6-7,10-13,27H,4-5,8-9,14H2,(H,25,28)
InChIKeyVAHFZNMXSLTYPU-UHFFFAOYSA-N
XLogP3.87
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-fluorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of 1-benzyl-N-(4-fluorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide (CID 54688564) is 1-benzyl-N-(4-fluorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(4-fluorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(4-fluorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide is O=C(Nc1ccc(F)cc1)c1c(O)c2c(n(Cc3ccccc3)c1=O)CCCC2.
What is the InChIKey of 1-benzyl-N-(4-fluorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is VAHFZNMXSLTYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c24-16-10-12-17(13-11-16)25-22(28)20-21(27)18-8-4-5-9-19(18)26(23(20)29)14-15-6-2-1-3-7-15/h1-3,6-7,10-13,27H,4-5,8-9,14H2,(H,25,28).
What are the key properties of 1-benzyl-N-(4-fluorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide?
1-benzyl-N-(4-fluorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 392.43 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-fluorophenyl)-4-hydroxy-2-oxo-5,6,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 54688564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).