2-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide

C19H17ClN2O3 — CID 24760068

IUPAC2-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cccc2c(=O)n(CCO)ccc12
InChIInChI=1S/C19H17ClN2O3/c20-14-6-4-13(5-7-14)12-18(24)21-17-3-1-2-16-15(17)8-9-22(10-11-23)19(16)25/h1-9,23H,10-12H2,(H,21,24)
InChIKeyXXGJOISXNSMPET-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.83
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide

2-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide (PubChem CID 24760068) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide
PubChem CID24760068
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name2-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide
SMILESO=C(Cc1ccc(Cl)cc1)Nc1cccc2c(=O)n(CCO)ccc12
InChIInChI=1S/C19H17ClN2O3/c20-14-6-4-13(5-7-14)12-18(24)21-17-3-1-2-16-15(17)8-9-22(10-11-23)19(16)25/h1-9,23H,10-12H2,(H,21,24)
InChIKeyXXGJOISXNSMPET-UHFFFAOYSA-N
XLogP2.83
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-fluoro-4-(trifluoromethyl)phenyl]-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide
CID 52914138
3-(4-chlorophenyl)-N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]propanamide
CID 59579428
3-[3,5-bis(trifluoromethyl)phenyl]-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]propanamide
CID 24760580
2-(4-methoxyphenyl)-N-[2-(2-nitroethyl)-1-oxoisoquinolin-5-yl]acetamide
CID 143544514
N-[6-chloro-2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]-2-(3,4-dichlorophenyl)acetamide
CID 24760009
2-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]acetamide
CID 59579552
N-[2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-5-yl]-2-(3,5-dimethylphenyl)acetamide
CID 59579540
2-(4-ethoxyphenyl)-N-[2-(2-morpholin-4-ylethyl)-1-oxoisoquinolin-5-yl]acetamide
CID 59579714
N-[2-(2-methoxyethyl)-1-oxoisoquinolin-5-yl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 59579483
N-[2-(2-hydroxypropyl)-1-oxoisoquinolin-5-yl]-2-naphthalen-1-ylacetamide
CID 59515649
N-[2-[2-(dimethylamino)ethyl]-1-oxoisoquinolin-5-yl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 59579731
3-(3-chlorophenyl)-N-[2-(2-morpholin-4-ylethyl)-1-oxoisoquinolin-5-yl]propanamide
CID 59579651

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide (CID 24760068) is 2-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide is O=C(Cc1ccc(Cl)cc1)Nc1cccc2c(=O)n(CCO)ccc12.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide?
The InChIKey is XXGJOISXNSMPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c20-14-6-4-13(5-7-14)12-18(24)21-17-3-1-2-16-15(17)8-9-22(10-11-23)19(16)25/h1-9,23H,10-12H2,(H,21,24).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide?
2-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide has a molecular weight of 356.81 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(2-hydroxyethyl)-1-oxoisoquinolin-5-yl]acetamide is sourced from PubChem (CID 24760068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).