N-[6-ethyl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide

C15H17F3N2O2 — CID 123549965

IUPACN-[6-ethyl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
SMILESCCc1cc2c(cc1NC(C)=O)CN(C(=O)C(F)(F)F)CC2
InChIInChI=1S/C15H17F3N2O2/c1-3-10-6-11-4-5-20(14(22)15(16,17)18)8-12(11)7-13(10)19-9(2)21/h6-7H,3-5,8H2,1-2H3,(H,19,21)
InChIKeySYRJPXHQZVEUMQ-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.65
Rot. Bonds2

About N-[6-ethyl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide

N-[6-ethyl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide (PubChem CID 123549965) has the molecular formula C15H17F3N2O2 and a molecular weight of 314.31 g/mol. Its IUPAC name is N-[6-ethyl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide.

Molecular Properties

Compound NameN-[6-ethyl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
PubChem CID123549965
Molecular FormulaC15H17F3N2O2
Molecular Weight314.31 g/mol
Exact Mass314.12
IUPAC NameN-[6-ethyl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide
SMILESCCc1cc2c(cc1NC(C)=O)CN(C(=O)C(F)(F)F)CC2
InChIInChI=1S/C15H17F3N2O2/c1-3-10-6-11-4-5-20(14(22)15(16,17)18)8-12(11)7-13(10)19-9(2)21/h6-7H,3-5,8H2,1-2H3,(H,19,21)
InChIKeySYRJPXHQZVEUMQ-UHFFFAOYSA-N
XLogP2.65
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Azetukalner
CID 24743936
LG-121071
CID 9839132
N-(2-(6,7-dimethyl-2-oxo-1,2-dihydroquinolin-3-yl)ethyl)acetamide
CID 3240947
N-(5-Ethyl-5,6-dihydro-phenanthridin-9-yl)-2,2,2-trifluoro-acetamide
CID 22288540
(E)-N-(3-ethylphenyl)-3-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)prop-2-enamide
CID 44533368
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)acetamide
CID 10775659
Acetamide, N-(beta-methyl-4-piperidinophenethyl)-2,2,2-trifluoro-
CID 38068
Acetamide, N-(1,2,3,4-tetrahydro-2-methylisoquinolin-5-yl)-
CID 33930
N-Cyclohexyl-N-(6,7-dimethyl-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-propionamide
CID 655158
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,5-dimethylphenyl)propanamide
CID 739974
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 3245532
1,6,8,8-Tetramethyl-4-trifluoromethyl-6,7,8,9-tetrahydro-1H-pyrido[3,2-g]quinolin-2-one
CID 10615958

Frequently Asked Questions

What is the IUPAC name of N-[6-ethyl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide?
The IUPAC name of N-[6-ethyl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide (CID 123549965) is N-[6-ethyl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide.
What is the SMILES notation for N-[6-ethyl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide?
The canonical SMILES for N-[6-ethyl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide is CCc1cc2c(cc1NC(C)=O)CN(C(=O)C(F)(F)F)CC2.
What is the InChIKey of N-[6-ethyl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide?
The InChIKey is SYRJPXHQZVEUMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O2/c1-3-10-6-11-4-5-20(14(22)15(16,17)18)8-12(11)7-13(10)19-9(2)21/h6-7H,3-5,8H2,1-2H3,(H,19,21).
What are the key properties of N-[6-ethyl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide?
N-[6-ethyl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide has a molecular weight of 314.31 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-ethyl-2-(2,2,2-trifluoroacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]acetamide is sourced from PubChem (CID 123549965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).