N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide

C17H14N2O2 — CID 23156859

IUPACN-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide
SMILESCC(=O)Nc1ccc2cc(-c3ccccc3)[nH]c(=O)c2c1
InChIInChI=1S/C17H14N2O2/c1-11(20)18-14-8-7-13-9-16(12-5-3-2-4-6-12)19-17(21)15(13)10-14/h2-10H,1H3,(H,18,20)(H,19,21)
InChIKeyIUXHDETXNUHRKF-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.15
Rot. Bonds2

About N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide

N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide (PubChem CID 23156859) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide.

Molecular Properties

Compound NameN-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide
PubChem CID23156859
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC NameN-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide
SMILESCC(=O)Nc1ccc2cc(-c3ccccc3)[nH]c(=O)c2c1
InChIInChI=1S/C17H14N2O2/c1-11(20)18-14-8-7-13-9-16(12-5-3-2-4-6-12)19-17(21)15(13)10-14/h2-10H,1H3,(H,18,20)(H,19,21)
InChIKeyIUXHDETXNUHRKF-UHFFFAOYSA-N
XLogP3.15
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide?
The IUPAC name of N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide (CID 23156859) is N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide.
What is the SMILES notation for N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide?
The canonical SMILES for N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide is CC(=O)Nc1ccc2cc(-c3ccccc3)[nH]c(=O)c2c1.
What is the InChIKey of N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide?
The InChIKey is IUXHDETXNUHRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-11(20)18-14-8-7-13-9-16(12-5-3-2-4-6-12)19-17(21)15(13)10-14/h2-10H,1H3,(H,18,20)(H,19,21).
What are the key properties of N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide?
N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide has a molecular weight of 278.31 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide is sourced from PubChem (CID 23156859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).