N-(1-oxo-4H-isoquinolin-8-yl)acetamide

C11H10N2O2 — CID 68874536

IUPACN-(1-oxo-4H-isoquinolin-8-yl)acetamide
SMILESCC(=O)Nc1cccc2c1C(=O)N=CC2
InChIInChI=1S/C11H10N2O2/c1-7(14)13-9-4-2-3-8-5-6-12-11(15)10(8)9/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeyUDOBVKWRSBIQRW-UHFFFAOYSA-N
MW202.21 g/mol
LogP1.41
Rot. Bonds1

About N-(1-oxo-4H-isoquinolin-8-yl)acetamide

N-(1-oxo-4H-isoquinolin-8-yl)acetamide (PubChem CID 68874536) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is N-(1-oxo-4H-isoquinolin-8-yl)acetamide.

Molecular Properties

Compound NameN-(1-oxo-4H-isoquinolin-8-yl)acetamide
PubChem CID68874536
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC NameN-(1-oxo-4H-isoquinolin-8-yl)acetamide
SMILESCC(=O)Nc1cccc2c1C(=O)N=CC2
InChIInChI=1S/C11H10N2O2/c1-7(14)13-9-4-2-3-8-5-6-12-11(15)10(8)9/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeyUDOBVKWRSBIQRW-UHFFFAOYSA-N
XLogP1.41
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-4H-isoquinolin-8-yl)acetamide?
The IUPAC name of N-(1-oxo-4H-isoquinolin-8-yl)acetamide (CID 68874536) is N-(1-oxo-4H-isoquinolin-8-yl)acetamide.
What is the SMILES notation for N-(1-oxo-4H-isoquinolin-8-yl)acetamide?
The canonical SMILES for N-(1-oxo-4H-isoquinolin-8-yl)acetamide is CC(=O)Nc1cccc2c1C(=O)N=CC2.
What is the InChIKey of N-(1-oxo-4H-isoquinolin-8-yl)acetamide?
The InChIKey is UDOBVKWRSBIQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-7(14)13-9-4-2-3-8-5-6-12-11(15)10(8)9/h2-4,6H,5H2,1H3,(H,13,14).
What are the key properties of N-(1-oxo-4H-isoquinolin-8-yl)acetamide?
N-(1-oxo-4H-isoquinolin-8-yl)acetamide has a molecular weight of 202.21 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-4H-isoquinolin-8-yl)acetamide is sourced from PubChem (CID 68874536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).