2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide

C132H170F10N14O21 — CID 167556632

IUPAC2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC/C(=C/F)COc1ccc2c(c1)CCN(CC(=O)N(C)C)C2=O.CC/C(=C/F)COc1ccc2c(c1)CCN(CC(=O)NC(C)C)C2=O.CC/C(=C/F)COc1ccc2c(c1)CCN(CC(=O)NCC(C)C)C2=O.CC/C(=C\F)COc1ccc2c(c1)CCN(CC(=O)N(C)C)C2=O.CC/C(=C\F)COc1ccc2c(c1)CCN(CC(=O)NC(C)C)C2=O.CC/C(=C\F)COc1ccc2c(c1)CCN(CC(=O)NCC(C)C)C2=O.CC/C(=C\F)COc1ccc2c(c1)CCN(CC(=O)NCC(F)(F)F)C2=O
InChIInChI=1S/2C20H27FN2O3.2C19H25FN2O3.C18H20F4N2O3.2C18H23FN2O3/c2*1-4-15(10-21)13-26-17-5-6-18-16(9-17)7-8-23(20(18)25)12-19(24)22-11-14(2)3;2*1-4-14(10-20)12-25-16-5-6-17-15(9-16)7-8-22(19(17)24)11-18(23)21-13(2)3;1-2-12(8-19)10-27-14-3-4-15-13(7-14)5-6-24(17(15)26)9-16(25)23-11-18(20,21)22;2*1-4-13(10-19)12-24-15-5-6-16-14(9-15)7-8-21(18(16)23)11-17(22)20(2)3/h2*5-6,9-10,14H,4,7-8,11-13H2,1-3H3,(H,22,24);2*5-6,9-10,13H,4,7-8,11-12H2,1-3H3,(H,21,23);3-4,7-8H,2,5-6,9-11H2,1H3,(H,23,25);2*5-6,9-10H,4,7-8,11-12H2,1-3H3/b15-10+;15-10-;14-10+;14-10-;12-8+;13-10+;13-10-
InChIKeyDCDZGSRILJEBSX-CLBSQHMMSA-N
MW2478.87 g/mol
LogP19.74
Rot. Bonds49

About 2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 167556632) has the molecular formula C132H170F10N14O21 and a molecular weight of 2478.87 g/mol. Its IUPAC name is 2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID167556632
Molecular FormulaC132H170F10N14O21
Molecular Weight2478.87 g/mol
Exact Mass2477.25
IUPAC Name2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC/C(=C/F)COc1ccc2c(c1)CCN(CC(=O)N(C)C)C2=O.CC/C(=C/F)COc1ccc2c(c1)CCN(CC(=O)NC(C)C)C2=O.CC/C(=C/F)COc1ccc2c(c1)CCN(CC(=O)NCC(C)C)C2=O.CC/C(=C\F)COc1ccc2c(c1)CCN(CC(=O)N(C)C)C2=O.CC/C(=C\F)COc1ccc2c(c1)CCN(CC(=O)NC(C)C)C2=O.CC/C(=C\F)COc1ccc2c(c1)CCN(CC(=O)NCC(C)C)C2=O.CC/C(=C\F)COc1ccc2c(c1)CCN(CC(=O)NCC(F)(F)F)C2=O
InChIInChI=1S/2C20H27FN2O3.2C19H25FN2O3.C18H20F4N2O3.2C18H23FN2O3/c2*1-4-15(10-21)13-26-17-5-6-18-16(9-17)7-8-23(20(18)25)12-19(24)22-11-14(2)3;2*1-4-14(10-20)12-25-16-5-6-17-15(9-16)7-8-22(19(17)24)11-18(23)21-13(2)3;1-2-12(8-19)10-27-14-3-4-15-13(7-14)5-6-24(17(15)26)9-16(25)23-11-18(20,21)22;2*1-4-13(10-19)12-24-15-5-6-16-14(9-15)7-8-21(18(16)23)11-17(22)20(2)3/h2*5-6,9-10,14H,4,7-8,11-13H2,1-3H3,(H,22,24);2*5-6,9-10,13H,4,7-8,11-12H2,1-3H3,(H,21,23);3-4,7-8H,2,5-6,9-11H2,1H3,(H,23,25);2*5-6,9-10H,4,7-8,11-12H2,1-3H3/b15-10+;15-10-;14-10+;14-10-;12-8+;13-10+;13-10-
InChIKeyDCDZGSRILJEBSX-CLBSQHMMSA-N
XLogP19.74
TPSA392.90 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds49
Heavy Atoms177
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002478.87
LogP ≤ 519.74
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze 2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide with MolForge

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Launch Full Analysis

Related Compounds

2-benzoyl-N-[2-[di(propan-2-yl)amino]ethyl]-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 22888395
N-[2-[di(propan-2-yl)amino]ethyl]-2-(2-fluorobenzoyl)-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 44391003
US9783573, Example 41
CID 138961794
US9783573, Example 42
CID 138961795
(2R)-2-[6-[(2,6-difluorophenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanamide
CID 9998601
2-[6-[(3,4-Difluorophenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanamide
CID 10451133
7-(2,4-Difluorophenoxy)-2-[1-[4-[(4-fluorophenyl)methylamino]piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3,4-dihydroisoquinolin-1-one
CID 11519752
7-(2,4-Difluorophenoxy)-2-[1-[4-[2-(4-fluorophenyl)ethylamino]piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]-3,4-dihydroisoquinolin-1-one
CID 11657131
2-[6-[(4-Fluorophenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-3-phenylpropanamide
CID 22641894
2-[6-[(2,6-Difluorophenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanamide
CID 22641906
2-[1-Oxo-6-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydroisoquinolin-2-yl]propanamide
CID 22641946
2-[6-[Difluoro(phenyl)methoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]propanamide
CID 22641954

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 167556632) is 2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide is CC/C(=C/F)COc1ccc2c(c1)CCN(CC(=O)N(C)C)C2=O.CC/C(=C/F)COc1ccc2c(c1)CCN(CC(=O)NC(C)C)C2=O.CC/C(=C/F)COc1ccc2c(c1)CCN(CC(=O)NCC(C)C)C2=O.CC/C(=C\F)COc1ccc2c(c1)CCN(CC(=O)N(C)C)C2=O.CC/C(=C\F)COc1ccc2c(c1)CCN(CC(=O)NC(C)C)C2=O.CC/C(=C\F)COc1ccc2c(c1)CCN(CC(=O)NCC(C)C)C2=O.CC/C(=C\F)COc1ccc2c(c1)CCN(CC(=O)NCC(F)(F)F)C2=O.
What is the InChIKey of 2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is DCDZGSRILJEBSX-CLBSQHMMSA-N. The full InChI is InChI=1S/2C20H27FN2O3.2C19H25FN2O3.C18H20F4N2O3.2C18H23FN2O3/c2*1-4-15(10-21)13-26-17-5-6-18-16(9-17)7-8-23(20(18)25)12-19(24)22-11-14(2)3;2*1-4-14(10-20)12-25-16-5-6-17-15(9-16)7-8-22(19(17)24)11-18(23)21-13(2)3;1-2-12(8-19)10-27-14-3-4-15-13(7-14)5-6-24(17(15)26)9-16(25)23-11-18(20,21)22;2*1-4-13(10-19)12-24-15-5-6-16-14(9-15)7-8-21(18(16)23)11-17(22)20(2)3/h2*5-6,9-10,14H,4,7-8,11-13H2,1-3H3,(H,22,24);2*5-6,9-10,13H,4,7-8,11-12H2,1-3H3,(H,21,23);3-4,7-8H,2,5-6,9-11H2,1H3,(H,23,25);2*5-6,9-10H,4,7-8,11-12H2,1-3H3/b15-10+;15-10-;14-10+;14-10-;12-8+;13-10+;13-10-.
What are the key properties of 2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 2478.87 g/mol, XLogP of 19.74, 49 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N,N-dimethylacetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2-methylpropyl)acetamide;2-[6-[(2Z)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-propan-2-ylacetamide;2-[6-[(2E)-2-(fluoromethylidene)butoxy]-1-oxo-3,4-dihydroisoquinolin-2-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 167556632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).