2-(3,5-difluorophenyl)-N-isoquinolin-4-ylacetamide

C17H12F2N2O — CID 156906721

IUPAC2-(3,5-difluorophenyl)-N-isoquinolin-4-ylacetamide
SMILESO=C(Cc1cc(F)cc(F)c1)Nc1cncc2ccccc12
InChIInChI=1S/C17H12F2N2O/c18-13-5-11(6-14(19)8-13)7-17(22)21-16-10-20-9-12-3-1-2-4-15(12)16/h1-6,8-10H,7H2,(H,21,22)
InChIKeyRXQWWUHGRJKJHB-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.69
Rot. Bonds3

About 2-(3,5-difluorophenyl)-N-isoquinolin-4-ylacetamide

2-(3,5-difluorophenyl)-N-isoquinolin-4-ylacetamide (PubChem CID 156906721) has the molecular formula C17H12F2N2O and a molecular weight of 298.29 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-isoquinolin-4-ylacetamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-isoquinolin-4-ylacetamide
PubChem CID156906721
Molecular FormulaC17H12F2N2O
Molecular Weight298.29 g/mol
Exact Mass298.09
IUPAC Name2-(3,5-difluorophenyl)-N-isoquinolin-4-ylacetamide
SMILESO=C(Cc1cc(F)cc(F)c1)Nc1cncc2ccccc12
InChIInChI=1S/C17H12F2N2O/c18-13-5-11(6-14(19)8-13)7-17(22)21-16-10-20-9-12-3-1-2-4-15(12)16/h1-6,8-10H,7H2,(H,21,22)
InChIKeyRXQWWUHGRJKJHB-UHFFFAOYSA-N
XLogP3.69
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Isoquinolin-4-yl-3,4-dihydroquinolin-2(1H)-one
CID 25147692
4-tert-butyl-N-(quinolin-3-yl)benzamide
CID 797382
4-butyl-N-(quinolin-3-yl)benzamide
CID 1860395
4-propyl-N-quinolin-3-ylbenzamide
CID 4298023
4-nonyl-N-quinolin-3-ylbenzamide
CID 4375060
N-quinolin-3-yl-7-sulfanylheptanamide
CID 10379373
benzo[c][1,5]naphthyridin-6(5H)-one
CID 10535869
4,4-Diphenyl-N-(pyridin-3-yl)-butyramide
CID 11976417
4-[methyl(octyl)amino]-N-quinolin-3-ylbenzamide
CID 44450313
4-[hexyl(methyl)amino]-N-quinolin-3-ylbenzamide
CID 44450322
4-[butyl(methyl)amino]-N-quinolin-3-ylbenzamide
CID 44450336
4-hexyl-N-quinolin-3-ylbenzamide
CID 44450347

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-isoquinolin-4-ylacetamide?
The IUPAC name of 2-(3,5-difluorophenyl)-N-isoquinolin-4-ylacetamide (CID 156906721) is 2-(3,5-difluorophenyl)-N-isoquinolin-4-ylacetamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-isoquinolin-4-ylacetamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-isoquinolin-4-ylacetamide is O=C(Cc1cc(F)cc(F)c1)Nc1cncc2ccccc12.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-isoquinolin-4-ylacetamide?
The InChIKey is RXQWWUHGRJKJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N2O/c18-13-5-11(6-14(19)8-13)7-17(22)21-16-10-20-9-12-3-1-2-4-15(12)16/h1-6,8-10H,7H2,(H,21,22).
What are the key properties of 2-(3,5-difluorophenyl)-N-isoquinolin-4-ylacetamide?
2-(3,5-difluorophenyl)-N-isoquinolin-4-ylacetamide has a molecular weight of 298.29 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-isoquinolin-4-ylacetamide is sourced from PubChem (CID 156906721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).