2-cyclopropyl-6-fluoro-N-(2-thiophen-2-ylpropyl)quinoline-4-carboxamide

C20H19FN2OS — CID 166216439

IUPAC2-cyclopropyl-6-fluoro-N-(2-thiophen-2-ylpropyl)quinoline-4-carboxamide
SMILESCC(CNC(=O)c1cc(C2CC2)nc2ccc(F)cc12)c1cccs1
InChIInChI=1S/C20H19FN2OS/c1-12(19-3-2-8-25-19)11-22-20(24)16-10-18(13-4-5-13)23-17-7-6-14(21)9-15(16)17/h2-3,6-10,12-13H,4-5,11H2,1H3,(H,22,24)
InChIKeyUGEHSNYJGQNZSF-UHFFFAOYSA-N
MW354.45 g/mol
LogP4.85
Rot. Bonds5

About 2-cyclopropyl-6-fluoro-N-(2-thiophen-2-ylpropyl)quinoline-4-carboxamide

2-cyclopropyl-6-fluoro-N-(2-thiophen-2-ylpropyl)quinoline-4-carboxamide (PubChem CID 166216439) has the molecular formula C20H19FN2OS and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-cyclopropyl-6-fluoro-N-(2-thiophen-2-ylpropyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-6-fluoro-N-(2-thiophen-2-ylpropyl)quinoline-4-carboxamide
PubChem CID166216439
Molecular FormulaC20H19FN2OS
Molecular Weight354.45 g/mol
Exact Mass354.12
IUPAC Name2-cyclopropyl-6-fluoro-N-(2-thiophen-2-ylpropyl)quinoline-4-carboxamide
SMILESCC(CNC(=O)c1cc(C2CC2)nc2ccc(F)cc12)c1cccs1
InChIInChI=1S/C20H19FN2OS/c1-12(19-3-2-8-25-19)11-22-20(24)16-10-18(13-4-5-13)23-17-7-6-14(21)9-15(16)17/h2-3,6-10,12-13H,4-5,11H2,1H3,(H,22,24)
InChIKeyUGEHSNYJGQNZSF-UHFFFAOYSA-N
XLogP4.85
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-fluoro-N-(2-thiophen-2-ylpropyl)quinoline-4-carboxamide?
The IUPAC name of 2-cyclopropyl-6-fluoro-N-(2-thiophen-2-ylpropyl)quinoline-4-carboxamide (CID 166216439) is 2-cyclopropyl-6-fluoro-N-(2-thiophen-2-ylpropyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-6-fluoro-N-(2-thiophen-2-ylpropyl)quinoline-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-6-fluoro-N-(2-thiophen-2-ylpropyl)quinoline-4-carboxamide is CC(CNC(=O)c1cc(C2CC2)nc2ccc(F)cc12)c1cccs1.
What is the InChIKey of 2-cyclopropyl-6-fluoro-N-(2-thiophen-2-ylpropyl)quinoline-4-carboxamide?
The InChIKey is UGEHSNYJGQNZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2OS/c1-12(19-3-2-8-25-19)11-22-20(24)16-10-18(13-4-5-13)23-17-7-6-14(21)9-15(16)17/h2-3,6-10,12-13H,4-5,11H2,1H3,(H,22,24).
What are the key properties of 2-cyclopropyl-6-fluoro-N-(2-thiophen-2-ylpropyl)quinoline-4-carboxamide?
2-cyclopropyl-6-fluoro-N-(2-thiophen-2-ylpropyl)quinoline-4-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-fluoro-N-(2-thiophen-2-ylpropyl)quinoline-4-carboxamide is sourced from PubChem (CID 166216439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).