2-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]acetamide

C18H19FN4O — CID 133318098

IUPAC2-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]acetamide
SMILESCc1cc(F)cc2c(N3CCC(CC(N)=O)CC3)c(C#N)cnc12
InChIInChI=1S/C18H19FN4O/c1-11-6-14(19)8-15-17(11)22-10-13(9-20)18(15)23-4-2-12(3-5-23)7-16(21)24/h6,8,10,12H,2-5,7H2,1H3,(H2,21,24)
InChIKeyZTWIDBIZBLAQRK-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.65
Rot. Bonds3

About 2-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]acetamide

2-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]acetamide (PubChem CID 133318098) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 2-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]acetamide
PubChem CID133318098
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name2-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]acetamide
SMILESCc1cc(F)cc2c(N3CCC(CC(N)=O)CC3)c(C#N)cnc12
InChIInChI=1S/C18H19FN4O/c1-11-6-14(19)8-15-17(11)22-10-13(9-20)18(15)23-4-2-12(3-5-23)7-16(21)24/h6,8,10,12H,2-5,7H2,1H3,(H2,21,24)
InChIKeyZTWIDBIZBLAQRK-UHFFFAOYSA-N
XLogP2.65
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]acetamide (CID 133318098) is 2-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]acetamide is Cc1cc(F)cc2c(N3CCC(CC(N)=O)CC3)c(C#N)cnc12.
What is the InChIKey of 2-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]acetamide?
The InChIKey is ZTWIDBIZBLAQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-11-6-14(19)8-15-17(11)22-10-13(9-20)18(15)23-4-2-12(3-5-23)7-16(21)24/h6,8,10,12H,2-5,7H2,1H3,(H2,21,24).
What are the key properties of 2-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]acetamide?
2-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]acetamide has a molecular weight of 326.38 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-cyano-6-fluoro-8-methylquinolin-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 133318098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).