2-[[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

C20H19F4N3O2 — CID 37383606

IUPAC2-[[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCc1cc(F)c2c(c1)CCCN2CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C20H19F4N3O2/c1-11-7-12-3-2-6-27(20(12)14(22)8-11)10-17(29)25-9-16(28)26-15-5-4-13(21)18(23)19(15)24/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,25,29)(H,26,28)
InChIKeySTOSHMSFEQXGRJ-UHFFFAOYSA-N
MW409.38 g/mol
LogP3.06
Rot. Bonds5

About 2-[[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 37383606) has the molecular formula C20H19F4N3O2 and a molecular weight of 409.38 g/mol. Its IUPAC name is 2-[[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID37383606
Molecular FormulaC20H19F4N3O2
Molecular Weight409.38 g/mol
Exact Mass409.14
IUPAC Name2-[[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCc1cc(F)c2c(c1)CCCN2CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C20H19F4N3O2/c1-11-7-12-3-2-6-27(20(12)14(22)8-11)10-17(29)25-9-16(28)26-15-5-4-13(21)18(23)19(15)24/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,25,29)(H,26,28)
InChIKeySTOSHMSFEQXGRJ-UHFFFAOYSA-N
XLogP3.06
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-[[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,3,4-trifluorophenyl)acetamide
CID 34008980
N-(3-chloro-2-methylphenyl)-2-[[2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]acetamide
CID 43065952
2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-nitrophenyl)acetamide
CID 37383481
2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N,N-dimethylacetamide
CID 78871449
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 37383592
2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 37383582
2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-sulfamoylphenyl)acetamide
CID 37383510
2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 46444615
N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 37383751
2-(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 43065879
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 37383476
methyl 1-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]piperidine-4-carboxylate
CID 8741884

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide (CID 37383606) is 2-[[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is Cc1cc(F)c2c(c1)CCCN2CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-[[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is STOSHMSFEQXGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F4N3O2/c1-11-7-12-3-2-6-27(20(12)14(22)8-11)10-17(29)25-9-16(28)26-15-5-4-13(21)18(23)19(15)24/h4-5,7-8H,2-3,6,9-10H2,1H3,(H,25,29)(H,26,28).
What are the key properties of 2-[[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 409.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(8-fluoro-6-methyl-3,4-dihydro-2H-quinolin-1-yl)acetyl]amino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 37383606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).