4-(4-fluorophenyl)-7-[(1-oxo-1,2-thiazolidin-2-yl)methyl]quinoline-2-carboxamide

C20H18FN3O2S — CID 130412132

IUPAC4-(4-fluorophenyl)-7-[(1-oxo-1,2-thiazolidin-2-yl)methyl]quinoline-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCS3=O)cc2n1
InChIInChI=1S/C20H18FN3O2S/c21-15-5-3-14(4-6-15)17-11-19(20(22)25)23-18-10-13(2-7-16(17)18)12-24-8-1-9-27(24)26/h2-7,10-11H,1,8-9,12H2,(H2,22,25)
InChIKeyKJGKYJOWTAMSDC-UHFFFAOYSA-N
MW383.45 g/mol
LogP3.01
Rot. Bonds4

About 4-(4-fluorophenyl)-7-[(1-oxo-1,2-thiazolidin-2-yl)methyl]quinoline-2-carboxamide

4-(4-fluorophenyl)-7-[(1-oxo-1,2-thiazolidin-2-yl)methyl]quinoline-2-carboxamide (PubChem CID 130412132) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-7-[(1-oxo-1,2-thiazolidin-2-yl)methyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-7-[(1-oxo-1,2-thiazolidin-2-yl)methyl]quinoline-2-carboxamide
PubChem CID130412132
Molecular FormulaC20H18FN3O2S
Molecular Weight383.45 g/mol
Exact Mass383.11
IUPAC Name4-(4-fluorophenyl)-7-[(1-oxo-1,2-thiazolidin-2-yl)methyl]quinoline-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCS3=O)cc2n1
InChIInChI=1S/C20H18FN3O2S/c21-15-5-3-14(4-6-15)17-11-19(20(22)25)23-18-10-13(2-7-16(17)18)12-24-8-1-9-27(24)26/h2-7,10-11H,1,8-9,12H2,(H2,22,25)
InChIKeyKJGKYJOWTAMSDC-UHFFFAOYSA-N
XLogP3.01
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-7-[(1-oxo-1,2-thiazolidin-2-yl)methyl]quinoline-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-7-[(1-oxo-1,2-thiazolidin-2-yl)methyl]quinoline-2-carboxamide (CID 130412132) is 4-(4-fluorophenyl)-7-[(1-oxo-1,2-thiazolidin-2-yl)methyl]quinoline-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-7-[(1-oxo-1,2-thiazolidin-2-yl)methyl]quinoline-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-7-[(1-oxo-1,2-thiazolidin-2-yl)methyl]quinoline-2-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCS3=O)cc2n1.
What is the InChIKey of 4-(4-fluorophenyl)-7-[(1-oxo-1,2-thiazolidin-2-yl)methyl]quinoline-2-carboxamide?
The InChIKey is KJGKYJOWTAMSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c21-15-5-3-14(4-6-15)17-11-19(20(22)25)23-18-10-13(2-7-16(17)18)12-24-8-1-9-27(24)26/h2-7,10-11H,1,8-9,12H2,(H2,22,25).
What are the key properties of 4-(4-fluorophenyl)-7-[(1-oxo-1,2-thiazolidin-2-yl)methyl]quinoline-2-carboxamide?
4-(4-fluorophenyl)-7-[(1-oxo-1,2-thiazolidin-2-yl)methyl]quinoline-2-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-7-[(1-oxo-1,2-thiazolidin-2-yl)methyl]quinoline-2-carboxamide is sourced from PubChem (CID 130412132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).