2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2-methylpent-4-ynamide

C23H21FN2O — CID 146818531

IUPAC2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2-methylpent-4-ynamide
SMILESC#CCC(C)(Cc1ccccc1)C(=O)Nc1cc2cccc(F)c2nc1C
InChIInChI=1S/C23H21FN2O/c1-4-13-23(3,15-17-9-6-5-7-10-17)22(27)26-20-14-18-11-8-12-19(24)21(18)25-16(20)2/h1,5-12,14H,13,15H2,2-3H3,(H,26,27)
InChIKeySBOQVGHXEHNMKY-UHFFFAOYSA-N
MW360.43 g/mol
LogP4.89
Rot. Bonds5

About 2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2-methylpent-4-ynamide

2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2-methylpent-4-ynamide (PubChem CID 146818531) has the molecular formula C23H21FN2O and a molecular weight of 360.43 g/mol. Its IUPAC name is 2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2-methylpent-4-ynamide.

Molecular Properties

Compound Name2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2-methylpent-4-ynamide
PubChem CID146818531
Molecular FormulaC23H21FN2O
Molecular Weight360.43 g/mol
Exact Mass360.16
IUPAC Name2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2-methylpent-4-ynamide
SMILESC#CCC(C)(Cc1ccccc1)C(=O)Nc1cc2cccc(F)c2nc1C
InChIInChI=1S/C23H21FN2O/c1-4-13-23(3,15-17-9-6-5-7-10-17)22(27)26-20-14-18-11-8-12-19(24)21(18)25-16(20)2/h1,5-12,14H,13,15H2,2-3H3,(H,26,27)
InChIKeySBOQVGHXEHNMKY-UHFFFAOYSA-N
XLogP4.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide
CID 146469708
N-(8-fluoro-2-methylquinolin-3-yl)-2-[(3-fluorophenyl)methyl]-2,4-dimethylpentanamide
CID 147176435
2-benzyl-N-(8-fluoroquinolin-3-yl)-2,4,4-trimethylpentanamide
CID 166964989
(2S)-2-benzyl-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-2-methylbutanamide
CID 142432657
2-benzyl-3-(1-fluorocyclopropyl)-N-(8-fluoroquinolin-3-yl)-2-methylpropanamide
CID 147294248
(2R)-2-benzyl-N-(8-fluoro-4-methylquinolin-3-yl)-2,4-dimethylpent-4-enamide
CID 148598876
1-(8-fluoroquinolin-3-yl)-3-methyl-3-(2-methylpropyl)hex-5-yn-2-one
CID 163552936
(2R)-2-benzyl-2,4-dimethylpentanoic acid;(2R)-2-benzyl-2,4-dimethylpentanoyl chloride;(3R)-3-benzyl-1-(8-fluoro-2-methylquinolin-3-yl)-3,5-dimethylhexan-2-one;8-fluoro-2-methylquinolin-3-amine
CID 163875128
8-fluoro-2-methylquinoline-3-carboxylic acid;hydrochloride
CID 119031045
8-fluoro-N-(2-methyl-1-oxo-3-phenylpropan-2-yl)quinoline-3-carboxamide
CID 130421211
2-benzyl-4,4,4-trifluoro-N-(8-fluoroquinolin-3-yl)-N-(methoxymethyl)-2-methylbutanamide
CID 149444066
N-(2,4-dimethyl-1-phenylpent-4-en-2-yl)-8-fluoroquinoline-3-carboxamide
CID 130405989

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2-methylpent-4-ynamide?
The IUPAC name of 2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2-methylpent-4-ynamide (CID 146818531) is 2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2-methylpent-4-ynamide.
What is the SMILES notation for 2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2-methylpent-4-ynamide?
The canonical SMILES for 2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2-methylpent-4-ynamide is C#CCC(C)(Cc1ccccc1)C(=O)Nc1cc2cccc(F)c2nc1C.
What is the InChIKey of 2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2-methylpent-4-ynamide?
The InChIKey is SBOQVGHXEHNMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O/c1-4-13-23(3,15-17-9-6-5-7-10-17)22(27)26-20-14-18-11-8-12-19(24)21(18)25-16(20)2/h1,5-12,14H,13,15H2,2-3H3,(H,26,27).
What are the key properties of 2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2-methylpent-4-ynamide?
2-benzyl-N-(8-fluoro-2-methylquinolin-3-yl)-2-methylpent-4-ynamide has a molecular weight of 360.43 g/mol, XLogP of 4.89, 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-fluoro-2-methylquinolin-3-yl)-2-methylpent-4-ynamide is sourced from PubChem (CID 146818531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).