N-(5-chloroisoquinolin-8-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide

C19H12ClN3O3 — CID 15670872

IUPACN-(5-chloroisoquinolin-8-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)c2ccncc12
InChIInChI=1S/C19H12ClN3O3/c20-15-5-6-16(14-9-21-8-7-11(14)15)22-17(24)10-23-18(25)12-3-1-2-4-13(12)19(23)26/h1-9H,10H2,(H,22,24)
InChIKeyREEDOBGILJBPSC-UHFFFAOYSA-N
MW365.78 g/mol
LogP3.12
Rot. Bonds3

About N-(5-chloroisoquinolin-8-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide

N-(5-chloroisoquinolin-8-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 15670872) has the molecular formula C19H12ClN3O3 and a molecular weight of 365.78 g/mol. Its IUPAC name is N-(5-chloroisoquinolin-8-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-chloroisoquinolin-8-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID15670872
Molecular FormulaC19H12ClN3O3
Molecular Weight365.78 g/mol
Exact Mass365.06
IUPAC NameN-(5-chloroisoquinolin-8-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)c2ccncc12
InChIInChI=1S/C19H12ClN3O3/c20-15-5-6-16(14-9-21-8-7-11(14)15)22-17(24)10-23-18(25)12-3-1-2-4-13(12)19(23)26/h1-9H,10H2,(H,22,24)
InChIKeyREEDOBGILJBPSC-UHFFFAOYSA-N
XLogP3.12
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.78
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloroisoquinolin-8-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(5-chloroisoquinolin-8-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 15670872) is N-(5-chloroisoquinolin-8-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(5-chloroisoquinolin-8-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(5-chloroisoquinolin-8-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc(Cl)c2ccncc12.
What is the InChIKey of N-(5-chloroisoquinolin-8-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is REEDOBGILJBPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O3/c20-15-5-6-16(14-9-21-8-7-11(14)15)22-17(24)10-23-18(25)12-3-1-2-4-13(12)19(23)26/h1-9H,10H2,(H,22,24).
What are the key properties of N-(5-chloroisoquinolin-8-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-(5-chloroisoquinolin-8-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 365.78 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloroisoquinolin-8-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 15670872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).