2-methyl-N-quinolin-8-yl-4-(3,3,3-trifluoroprop-1-enyl)benzamide

C20H15F3N2O — CID 68704218

IUPAC2-methyl-N-quinolin-8-yl-4-(3,3,3-trifluoroprop-1-enyl)benzamide
SMILESCc1cc(C=CC(F)(F)F)ccc1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C20H15F3N2O/c1-13-12-14(9-10-20(21,22)23)7-8-16(13)19(26)25-17-6-2-4-15-5-3-11-24-18(15)17/h2-12H,1H3,(H,25,26)
InChIKeyOXKBRHNDDFNTPG-UHFFFAOYSA-N
MW356.35 g/mol
LogP5.37
Rot. Bonds3

About 2-methyl-N-quinolin-8-yl-4-(3,3,3-trifluoroprop-1-enyl)benzamide

2-methyl-N-quinolin-8-yl-4-(3,3,3-trifluoroprop-1-enyl)benzamide (PubChem CID 68704218) has the molecular formula C20H15F3N2O and a molecular weight of 356.35 g/mol. Its IUPAC name is 2-methyl-N-quinolin-8-yl-4-(3,3,3-trifluoroprop-1-enyl)benzamide.

Molecular Properties

Compound Name2-methyl-N-quinolin-8-yl-4-(3,3,3-trifluoroprop-1-enyl)benzamide
PubChem CID68704218
Molecular FormulaC20H15F3N2O
Molecular Weight356.35 g/mol
Exact Mass356.11
IUPAC Name2-methyl-N-quinolin-8-yl-4-(3,3,3-trifluoroprop-1-enyl)benzamide
SMILESCc1cc(C=CC(F)(F)F)ccc1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C20H15F3N2O/c1-13-12-14(9-10-20(21,22)23)7-8-16(13)19(26)25-17-6-2-4-15-5-3-11-24-18(15)17/h2-12H,1H3,(H,25,26)
InChIKeyOXKBRHNDDFNTPG-UHFFFAOYSA-N
XLogP5.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.35
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-N-quinolin-8-yl-4-(3,3,3-trifluoroprop-1-enyl)benzamide 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-methyl-N-(3-methylisoquinolin-5-yl)-4-[(E)-3,3,3-trifluoroprop-1-enyl]benzamide
CID 11854407
N-(2,3-dihydro-1H-inden-4-yl)-2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide
CID 68704570
2-methyl-N-(1,5-naphthyridin-3-yl)-4-(3,3,3-trifluoroprop-1-enyl)benzamide
CID 68703609
4-fluoro-2-hydroxy-N-quinolin-8-ylbenzamide
CID 46846864
1,2,5-trimethyl-N-quinolin-8-ylpyrrole-3-carboxamide
CID 110691327
5-chloro-2-fluoro-N-quinolin-8-ylbenzamide
CID 17416993
methyl 2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzoate
CID 68702082
2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide
CID 74319750
N-(2,3-dimethylphenyl)quinoline-8-carboxamide
CID 30267815
2,4-dimethyl-6-oxo-N-quinolin-8-ylpyran-3-carboxamide
CID 110699363
3-fluoro-2-hydroxy-N-quinolin-8-ylbenzamide
CID 46846762
2-N,5-N-di(quinolin-8-yl)thiophene-2,5-dicarboxamide
CID 23913298

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-quinolin-8-yl-4-(3,3,3-trifluoroprop-1-enyl)benzamide?
The IUPAC name of 2-methyl-N-quinolin-8-yl-4-(3,3,3-trifluoroprop-1-enyl)benzamide (CID 68704218) is 2-methyl-N-quinolin-8-yl-4-(3,3,3-trifluoroprop-1-enyl)benzamide.
What is the SMILES notation for 2-methyl-N-quinolin-8-yl-4-(3,3,3-trifluoroprop-1-enyl)benzamide?
The canonical SMILES for 2-methyl-N-quinolin-8-yl-4-(3,3,3-trifluoroprop-1-enyl)benzamide is Cc1cc(C=CC(F)(F)F)ccc1C(=O)Nc1cccc2cccnc12.
What is the InChIKey of 2-methyl-N-quinolin-8-yl-4-(3,3,3-trifluoroprop-1-enyl)benzamide?
The InChIKey is OXKBRHNDDFNTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N2O/c1-13-12-14(9-10-20(21,22)23)7-8-16(13)19(26)25-17-6-2-4-15-5-3-11-24-18(15)17/h2-12H,1H3,(H,25,26).
What are the key properties of 2-methyl-N-quinolin-8-yl-4-(3,3,3-trifluoroprop-1-enyl)benzamide?
2-methyl-N-quinolin-8-yl-4-(3,3,3-trifluoroprop-1-enyl)benzamide has a molecular weight of 356.35 g/mol, XLogP of 5.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-quinolin-8-yl-4-(3,3,3-trifluoroprop-1-enyl)benzamide is sourced from PubChem (CID 68704218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).