2-benzyl-N-(8-fluoroquinolin-3-yl)-2,4,4-trimethylpentanamide

C24H27FN2O — CID 166964989

IUPAC2-benzyl-N-(8-fluoroquinolin-3-yl)-2,4,4-trimethylpentanamide
SMILESCC(C)(C)CC(C)(Cc1ccccc1)C(=O)Nc1cnc2c(F)cccc2c1
InChIInChI=1S/C24H27FN2O/c1-23(2,3)16-24(4,14-17-9-6-5-7-10-17)22(28)27-19-13-18-11-8-12-20(25)21(18)26-15-19/h5-13,15H,14,16H2,1-4H3,(H,27,28)
InChIKeyWAJZWWIAWPHHPZ-UHFFFAOYSA-N
MW378.49 g/mol
LogP6.00
Rot. Bonds5

About 2-benzyl-N-(8-fluoroquinolin-3-yl)-2,4,4-trimethylpentanamide

2-benzyl-N-(8-fluoroquinolin-3-yl)-2,4,4-trimethylpentanamide (PubChem CID 166964989) has the molecular formula C24H27FN2O and a molecular weight of 378.49 g/mol. Its IUPAC name is 2-benzyl-N-(8-fluoroquinolin-3-yl)-2,4,4-trimethylpentanamide.

Molecular Properties

Compound Name2-benzyl-N-(8-fluoroquinolin-3-yl)-2,4,4-trimethylpentanamide
PubChem CID166964989
Molecular FormulaC24H27FN2O
Molecular Weight378.49 g/mol
Exact Mass378.21
IUPAC Name2-benzyl-N-(8-fluoroquinolin-3-yl)-2,4,4-trimethylpentanamide
SMILESCC(C)(C)CC(C)(Cc1ccccc1)C(=O)Nc1cnc2c(F)cccc2c1
InChIInChI=1S/C24H27FN2O/c1-23(2,3)16-24(4,14-17-9-6-5-7-10-17)22(28)27-19-13-18-11-8-12-20(25)21(18)26-15-19/h5-13,15H,14,16H2,1-4H3,(H,27,28)
InChIKeyWAJZWWIAWPHHPZ-UHFFFAOYSA-N
XLogP6.00
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.49
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(8-fluoroquinolin-3-yl)-2,4,4-trimethylpentanamide?
The IUPAC name of 2-benzyl-N-(8-fluoroquinolin-3-yl)-2,4,4-trimethylpentanamide (CID 166964989) is 2-benzyl-N-(8-fluoroquinolin-3-yl)-2,4,4-trimethylpentanamide.
What is the SMILES notation for 2-benzyl-N-(8-fluoroquinolin-3-yl)-2,4,4-trimethylpentanamide?
The canonical SMILES for 2-benzyl-N-(8-fluoroquinolin-3-yl)-2,4,4-trimethylpentanamide is CC(C)(C)CC(C)(Cc1ccccc1)C(=O)Nc1cnc2c(F)cccc2c1.
What is the InChIKey of 2-benzyl-N-(8-fluoroquinolin-3-yl)-2,4,4-trimethylpentanamide?
The InChIKey is WAJZWWIAWPHHPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O/c1-23(2,3)16-24(4,14-17-9-6-5-7-10-17)22(28)27-19-13-18-11-8-12-20(25)21(18)26-15-19/h5-13,15H,14,16H2,1-4H3,(H,27,28).
What are the key properties of 2-benzyl-N-(8-fluoroquinolin-3-yl)-2,4,4-trimethylpentanamide?
2-benzyl-N-(8-fluoroquinolin-3-yl)-2,4,4-trimethylpentanamide has a molecular weight of 378.49 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(8-fluoroquinolin-3-yl)-2,4,4-trimethylpentanamide is sourced from PubChem (CID 166964989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).