2-(4-isoquinolin-5-ylphenyl)-2-methylpropanamide

C19H18N2O — CID 50975662

IUPAC2-(4-isoquinolin-5-ylphenyl)-2-methylpropanamide
SMILESCC(C)(C(N)=O)c1ccc(-c2cccc3cnccc23)cc1
InChIInChI=1S/C19H18N2O/c1-19(2,18(20)22)15-8-6-13(7-9-15)16-5-3-4-14-12-21-11-10-17(14)16/h3-12H,1-2H3,(H2,20,22)
InChIKeyZHNMUPMHVCIIPH-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.66
Rot. Bonds3

About 2-(4-isoquinolin-5-ylphenyl)-2-methylpropanamide

2-(4-isoquinolin-5-ylphenyl)-2-methylpropanamide (PubChem CID 50975662) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(4-isoquinolin-5-ylphenyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-isoquinolin-5-ylphenyl)-2-methylpropanamide
PubChem CID50975662
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name2-(4-isoquinolin-5-ylphenyl)-2-methylpropanamide
SMILESCC(C)(C(N)=O)c1ccc(-c2cccc3cnccc23)cc1
InChIInChI=1S/C19H18N2O/c1-19(2,18(20)22)15-8-6-13(7-9-15)16-5-3-4-14-12-21-11-10-17(14)16/h3-12H,1-2H3,(H2,20,22)
InChIKeyZHNMUPMHVCIIPH-UHFFFAOYSA-N
XLogP3.66
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-isoquinolin-5-ylbenzamide
CID 39817654
5-isoquinolin-5-ylpyridine-3-carboxylic acid
CID 56828979
5-pyrimidin-5-ylisoquinoline
CID 141337488
2-fluoro-6-isoquinolin-5-ylbenzamide
CID 50962592
2-amino-N-isoquinolin-5-yl-2-methylpropanamide
CID 61264999
2-fluoro-4-isoquinolin-5-ylbenzoic acid
CID 62811951
3-chloro-5-isoquinolin-5-ylbenzoic acid
CID 107957193
2-isoquinolin-5-ylaniline
CID 62812627
1-[4-(4-isoquinolin-5-ylphenyl)phenyl]-N,N-dimethylethanamine
CID 11523202
5-isoquinolin-5-ylpyridin-3-ol
CID 83130626
5-[4-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)phenyl]isoquinoline
CID 122416201
5-isoquinolin-5-yl-2-methoxyaniline
CID 62812119

Frequently Asked Questions

What is the IUPAC name of 2-(4-isoquinolin-5-ylphenyl)-2-methylpropanamide?
The IUPAC name of 2-(4-isoquinolin-5-ylphenyl)-2-methylpropanamide (CID 50975662) is 2-(4-isoquinolin-5-ylphenyl)-2-methylpropanamide.
What is the SMILES notation for 2-(4-isoquinolin-5-ylphenyl)-2-methylpropanamide?
The canonical SMILES for 2-(4-isoquinolin-5-ylphenyl)-2-methylpropanamide is CC(C)(C(N)=O)c1ccc(-c2cccc3cnccc23)cc1.
What is the InChIKey of 2-(4-isoquinolin-5-ylphenyl)-2-methylpropanamide?
The InChIKey is ZHNMUPMHVCIIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-19(2,18(20)22)15-8-6-13(7-9-15)16-5-3-4-14-12-21-11-10-17(14)16/h3-12H,1-2H3,(H2,20,22).
What are the key properties of 2-(4-isoquinolin-5-ylphenyl)-2-methylpropanamide?
2-(4-isoquinolin-5-ylphenyl)-2-methylpropanamide has a molecular weight of 290.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-isoquinolin-5-ylphenyl)-2-methylpropanamide is sourced from PubChem (CID 50975662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).