N-(7-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide

C19H16ClN3O2 — CID 169423247

IUPACN-(7-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide
SMILESCC(=O)Nc1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1
InChIInChI=1S/C19H16ClN3O2/c1-12(24)22-16-5-6-17-14(9-16)10-21-11-18(17)23-19(25)8-13-3-2-4-15(20)7-13/h2-7,9-11H,8H2,1H3,(H,22,24)(H,23,25)
InChIKeyFTMPDJAKQDTMDD-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.03
Rot. Bonds4

About N-(7-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide

N-(7-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide (PubChem CID 169423247) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is N-(7-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(7-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide
PubChem CID169423247
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC NameN-(7-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide
SMILESCC(=O)Nc1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1
InChIInChI=1S/C19H16ClN3O2/c1-12(24)22-16-5-6-17-14(9-16)10-21-11-18(17)23-19(25)8-13-3-2-4-15(20)7-13/h2-7,9-11H,8H2,1H3,(H,22,24)(H,23,25)
InChIKeyFTMPDJAKQDTMDD-UHFFFAOYSA-N
XLogP4.03
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-N-[7-[2-(dimethylamino)ethoxy]isoquinolin-4-yl]acetamide
CID 169408364
2-(3,4-dichlorophenyl)-N-(2,7-naphthyridin-4-yl)acetamide
CID 156906657
N-(3-acetamido-4-methoxyphenyl)-2-(3-chlorophenyl)acetamide
CID 110778435
2-(3-chlorophenyl)-N-(2,6-difluoro-3-pyridinyl)acetamide
CID 103097835
2-[3-chloro-5-[methyl(naphthalen-1-ylmethyl)amino]phenyl]-N-isoquinolin-4-ylacetamide
CID 156906489
2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide
CID 8763151
2-(3-chlorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide
CID 154858274
N-(5-acetamido-2-fluorophenyl)-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 43069303
2-(3-chlorophenyl)-N-quinoxalin-6-ylacetamide
CID 110723735
2-(3-chlorophenyl)-N-(4-ethylsulfonylphenyl)acetamide
CID 110778659
N-[3-(chloromethyl)phenyl]-2-(3-chlorophenyl)acetamide
CID 113270904
2-(3-chlorophenyl)-N-(3,4-dihydro-2H-pyrano[3,2-c]pyridin-8-yl)acetamide
CID 156907109

Frequently Asked Questions

What is the IUPAC name of N-(7-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide?
The IUPAC name of N-(7-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide (CID 169423247) is N-(7-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide.
What is the SMILES notation for N-(7-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide?
The canonical SMILES for N-(7-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide is CC(=O)Nc1ccc2c(NC(=O)Cc3cccc(Cl)c3)cncc2c1.
What is the InChIKey of N-(7-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide?
The InChIKey is FTMPDJAKQDTMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c1-12(24)22-16-5-6-17-14(9-16)10-21-11-18(17)23-19(25)8-13-3-2-4-15(20)7-13/h2-7,9-11H,8H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-(7-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide?
N-(7-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide has a molecular weight of 353.81 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide is sourced from PubChem (CID 169423247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).