2-(3-chlorophenyl)-N-[7-[2-(dimethylamino)ethoxy]isoquinolin-4-yl]acetamide

C21H22ClN3O2 — CID 169408364

IUPAC2-(3-chlorophenyl)-N-[7-[2-(dimethylamino)ethoxy]isoquinolin-4-yl]acetamide
SMILESCN(C)CCOc1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1
InChIInChI=1S/C21H22ClN3O2/c1-25(2)8-9-27-18-6-7-19-16(12-18)13-23-14-20(19)24-21(26)11-15-4-3-5-17(22)10-15/h3-7,10,12-14H,8-9,11H2,1-2H3,(H,24,26)
InChIKeyLASXIBJOIXVTDT-UHFFFAOYSA-N
MW383.88 g/mol
LogP4.01
Rot. Bonds7

About 2-(3-chlorophenyl)-N-[7-[2-(dimethylamino)ethoxy]isoquinolin-4-yl]acetamide

2-(3-chlorophenyl)-N-[7-[2-(dimethylamino)ethoxy]isoquinolin-4-yl]acetamide (PubChem CID 169408364) has the molecular formula C21H22ClN3O2 and a molecular weight of 383.88 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[7-[2-(dimethylamino)ethoxy]isoquinolin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[7-[2-(dimethylamino)ethoxy]isoquinolin-4-yl]acetamide
PubChem CID169408364
Molecular FormulaC21H22ClN3O2
Molecular Weight383.88 g/mol
Exact Mass383.14
IUPAC Name2-(3-chlorophenyl)-N-[7-[2-(dimethylamino)ethoxy]isoquinolin-4-yl]acetamide
SMILESCN(C)CCOc1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1
InChIInChI=1S/C21H22ClN3O2/c1-25(2)8-9-27-18-6-7-19-16(12-18)13-23-14-20(19)24-21(26)11-15-4-3-5-17(22)10-15/h3-7,10,12-14H,8-9,11H2,1-2H3,(H,24,26)
InChIKeyLASXIBJOIXVTDT-UHFFFAOYSA-N
XLogP4.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(7-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide
CID 169423247
2-[3-chloro-5-[methyl(naphthalen-1-ylmethyl)amino]phenyl]-N-isoquinolin-4-ylacetamide
CID 156906489
2-(3-chlorophenyl)-N-[2-(dimethylamino)phenyl]acetamide
CID 53384824
N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-[3-[2-(dimethylamino)ethoxy]phenyl]acetamide
CID 99787158
2-(3-chlorophenyl)-N-(2,6-difluoro-3-pyridinyl)acetamide
CID 103097835
2-(3-chlorophenyl)-N-pyrazin-2-ylacetamide
CID 127120451
2-(3-chlorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide
CID 154858274
N-[3-[2-(dimethylamino)ethoxy]phenyl]butanamide
CID 60776294
2-(2,6-dichlorophenyl)-N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]acetamide
CID 60520543
2-(3-chlorophenyl)-N-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-8-yl)acetamide
CID 156907109
N-(3-bromo-5-chloro-2-hydroxyphenyl)-2-(3-chlorophenyl)acetamide
CID 22618247
methyl 2-[3-[3-(dimethylamino)propoxy]phenyl]acetate
CID 153300961

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[7-[2-(dimethylamino)ethoxy]isoquinolin-4-yl]acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[7-[2-(dimethylamino)ethoxy]isoquinolin-4-yl]acetamide (CID 169408364) is 2-(3-chlorophenyl)-N-[7-[2-(dimethylamino)ethoxy]isoquinolin-4-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[7-[2-(dimethylamino)ethoxy]isoquinolin-4-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[7-[2-(dimethylamino)ethoxy]isoquinolin-4-yl]acetamide is CN(C)CCOc1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[7-[2-(dimethylamino)ethoxy]isoquinolin-4-yl]acetamide?
The InChIKey is LASXIBJOIXVTDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O2/c1-25(2)8-9-27-18-6-7-19-16(12-18)13-23-14-20(19)24-21(26)11-15-4-3-5-17(22)10-15/h3-7,10,12-14H,8-9,11H2,1-2H3,(H,24,26).
What are the key properties of 2-(3-chlorophenyl)-N-[7-[2-(dimethylamino)ethoxy]isoquinolin-4-yl]acetamide?
2-(3-chlorophenyl)-N-[7-[2-(dimethylamino)ethoxy]isoquinolin-4-yl]acetamide has a molecular weight of 383.88 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[7-[2-(dimethylamino)ethoxy]isoquinolin-4-yl]acetamide is sourced from PubChem (CID 169408364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).