3,3,3-trifluoro-N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propanamide

C13H15F3N2O — CID 62953750

IUPAC3,3,3-trifluoro-N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propanamide
SMILESCC1CCc2cccc(NC(=O)CC(F)(F)F)c2N1
InChIInChI=1S/C13H15F3N2O/c1-8-5-6-9-3-2-4-10(12(9)17-8)18-11(19)7-13(14,15)16/h2-4,8,17H,5-7H2,1H3,(H,18,19)
InChIKeyQCYJQEIGMLSNFV-UHFFFAOYSA-N
MW272.27 g/mol
LogP3.32
Rot. Bonds2

About 3,3,3-trifluoro-N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propanamide

3,3,3-trifluoro-N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propanamide (PubChem CID 62953750) has the molecular formula C13H15F3N2O and a molecular weight of 272.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propanamide
PubChem CID62953750
Molecular FormulaC13H15F3N2O
Molecular Weight272.27 g/mol
Exact Mass272.11
IUPAC Name3,3,3-trifluoro-N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propanamide
SMILESCC1CCc2cccc(NC(=O)CC(F)(F)F)c2N1
InChIInChI=1S/C13H15F3N2O/c1-8-5-6-9-3-2-4-10(12(9)17-8)18-11(19)7-13(14,15)16/h2-4,8,17H,5-7H2,1H3,(H,18,19)
InChIKeyQCYJQEIGMLSNFV-UHFFFAOYSA-N
XLogP3.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)-2-phenylacetamide
CID 62954785
N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)octanamide
CID 62952574
1,1-dimethyl-3-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)urea
CID 79154072
2-methyl-N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxolane-3-carboxamide
CID 79759818
N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propane-2-sulfonamide
CID 55153267
2-[(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]-N-phenylacetamide
CID 43825934
N-methyl-3-[(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]propanamide
CID 62324448
2-[(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)oxy]ethanol
CID 43197064
3,3,3-trifluoro-N-[3-(hydroxymethyl)-2-methoxyphenyl]propanamide
CID 71056739
N-[(7R)-7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 59666253
8-di(propan-2-yl)phosphoryl-2-methyl-1,2,3,4-tetrahydroquinoline
CID 142738926
N-(7-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 19696265

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propanamide (CID 62953750) is 3,3,3-trifluoro-N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propanamide is CC1CCc2cccc(NC(=O)CC(F)(F)F)c2N1.
What is the InChIKey of 3,3,3-trifluoro-N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propanamide?
The InChIKey is QCYJQEIGMLSNFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O/c1-8-5-6-9-3-2-4-10(12(9)17-8)18-11(19)7-13(14,15)16/h2-4,8,17H,5-7H2,1H3,(H,18,19).
What are the key properties of 3,3,3-trifluoro-N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propanamide?
3,3,3-trifluoro-N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propanamide has a molecular weight of 272.27 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(2-methyl-1,2,3,4-tetrahydroquinolin-8-yl)propanamide is sourced from PubChem (CID 62953750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).