2-indazol-2-yl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide

C18H16N4O2 — CID 167903212

IUPAC2-indazol-2-yl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide
SMILESO=C(Cn1cc2ccccc2n1)Nc1ccc2c(c1)C(=O)NCC2
InChIInChI=1S/C18H16N4O2/c23-17(11-22-10-13-3-1-2-4-16(13)21-22)20-14-6-5-12-7-8-19-18(24)15(12)9-14/h1-6,9-10H,7-8,11H2,(H,19,24)(H,20,23)
InChIKeyPOOOULIXWMEERS-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.96
Rot. Bonds3

About 2-indazol-2-yl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide

2-indazol-2-yl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide (PubChem CID 167903212) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is 2-indazol-2-yl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide.

Molecular Properties

Compound Name2-indazol-2-yl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide
PubChem CID167903212
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC Name2-indazol-2-yl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide
SMILESO=C(Cn1cc2ccccc2n1)Nc1ccc2c(c1)C(=O)NCC2
InChIInChI=1S/C18H16N4O2/c23-17(11-22-10-13-3-1-2-4-16(13)21-22)20-14-6-5-12-7-8-19-18(24)15(12)9-14/h1-6,9-10H,7-8,11H2,(H,19,24)(H,20,23)
InChIKeyPOOOULIXWMEERS-UHFFFAOYSA-N
XLogP1.96
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-indazol-2-yl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide?
The IUPAC name of 2-indazol-2-yl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide (CID 167903212) is 2-indazol-2-yl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide.
What is the SMILES notation for 2-indazol-2-yl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide?
The canonical SMILES for 2-indazol-2-yl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide is O=C(Cn1cc2ccccc2n1)Nc1ccc2c(c1)C(=O)NCC2.
What is the InChIKey of 2-indazol-2-yl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide?
The InChIKey is POOOULIXWMEERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2/c23-17(11-22-10-13-3-1-2-4-16(13)21-22)20-14-6-5-12-7-8-19-18(24)15(12)9-14/h1-6,9-10H,7-8,11H2,(H,19,24)(H,20,23).
What are the key properties of 2-indazol-2-yl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide?
2-indazol-2-yl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide has a molecular weight of 320.35 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-indazol-2-yl-N-(1-oxo-3,4-dihydro-2H-isoquinolin-7-yl)acetamide is sourced from PubChem (CID 167903212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).