3-fluoro-N-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide

C24H21FN4OS — CID 71416123

IUPAC3-fluoro-N-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide
SMILESO=C(Nc1ccc2nc(N3CCCCC3)c(-c3cccs3)nc2c1)c1cccc(F)c1
InChIInChI=1S/C24H21FN4OS/c25-17-7-4-6-16(14-17)24(30)26-18-9-10-19-20(15-18)27-22(21-8-5-13-31-21)23(28-19)29-11-2-1-3-12-29/h4-10,13-15H,1-3,11-12H2,(H,26,30)
InChIKeyMBZRPCJUWSNHJH-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.74
Rot. Bonds4

About 3-fluoro-N-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide

3-fluoro-N-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide (PubChem CID 71416123) has the molecular formula C24H21FN4OS and a molecular weight of 432.52 g/mol. Its IUPAC name is 3-fluoro-N-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide
PubChem CID71416123
Molecular FormulaC24H21FN4OS
Molecular Weight432.52 g/mol
Exact Mass432.14
IUPAC Name3-fluoro-N-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide
SMILESO=C(Nc1ccc2nc(N3CCCCC3)c(-c3cccs3)nc2c1)c1cccc(F)c1
InChIInChI=1S/C24H21FN4OS/c25-17-7-4-6-16(14-17)24(30)26-18-9-10-19-20(15-18)27-22(21-8-5-13-31-21)23(28-19)29-11-2-1-3-12-29/h4-10,13-15H,1-3,11-12H2,(H,26,30)
InChIKeyMBZRPCJUWSNHJH-UHFFFAOYSA-N
XLogP5.74
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide?
The IUPAC name of 3-fluoro-N-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide (CID 71416123) is 3-fluoro-N-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide.
What is the SMILES notation for 3-fluoro-N-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide?
The canonical SMILES for 3-fluoro-N-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide is O=C(Nc1ccc2nc(N3CCCCC3)c(-c3cccs3)nc2c1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide?
The InChIKey is MBZRPCJUWSNHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4OS/c25-17-7-4-6-16(14-17)24(30)26-18-9-10-19-20(15-18)27-22(21-8-5-13-31-21)23(28-19)29-11-2-1-3-12-29/h4-10,13-15H,1-3,11-12H2,(H,26,30).
What are the key properties of 3-fluoro-N-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide?
3-fluoro-N-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide has a molecular weight of 432.52 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2-piperidin-1-yl-3-thiophen-2-ylquinoxalin-6-yl)benzamide is sourced from PubChem (CID 71416123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).