2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide

C24H25FN2O — CID 146469708

IUPAC2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide
SMILESC=C(C)CC(C)(Cc1ccccc1)C(=O)Nc1cc2cccc(F)c2nc1C
InChIInChI=1S/C24H25FN2O/c1-16(2)14-24(4,15-18-9-6-5-7-10-18)23(28)27-21-13-19-11-8-12-20(25)22(19)26-17(21)3/h5-13H,1,14-15H2,2-4H3,(H,27,28)
InChIKeySCLJPVVMYACNRD-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.84
Rot. Bonds6

About 2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide

2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide (PubChem CID 146469708) has the molecular formula C24H25FN2O and a molecular weight of 376.48 g/mol. Its IUPAC name is 2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide.

Molecular Properties

Compound Name2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide
PubChem CID146469708
Molecular FormulaC24H25FN2O
Molecular Weight376.48 g/mol
Exact Mass376.20
IUPAC Name2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide
SMILESC=C(C)CC(C)(Cc1ccccc1)C(=O)Nc1cc2cccc(F)c2nc1C
InChIInChI=1S/C24H25FN2O/c1-16(2)14-24(4,15-18-9-6-5-7-10-18)23(28)27-21-13-19-11-8-12-20(25)22(19)26-17(21)3/h5-13H,1,14-15H2,2-4H3,(H,27,28)
InChIKeySCLJPVVMYACNRD-UHFFFAOYSA-N
XLogP5.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide?
The IUPAC name of 2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide (CID 146469708) is 2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide.
What is the SMILES notation for 2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide?
The canonical SMILES for 2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide is C=C(C)CC(C)(Cc1ccccc1)C(=O)Nc1cc2cccc(F)c2nc1C.
What is the InChIKey of 2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide?
The InChIKey is SCLJPVVMYACNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O/c1-16(2)14-24(4,15-18-9-6-5-7-10-18)23(28)27-21-13-19-11-8-12-20(25)22(19)26-17(21)3/h5-13H,1,14-15H2,2-4H3,(H,27,28).
What are the key properties of 2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide?
2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide has a molecular weight of 376.48 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide is sourced from PubChem (CID 146469708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).