N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide

C17H14N2O2 — CID 46890642

IUPACN-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc2c(=O)[nH]ccc2c1
InChIInChI=1S/C17H14N2O2/c20-16(10-12-4-2-1-3-5-12)19-14-6-7-15-13(11-14)8-9-18-17(15)21/h1-9,11H,10H2,(H,18,21)(H,19,20)
InChIKeyZFTKMJDQCQPXDK-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.71
Rot. Bonds3

About N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide

N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide (PubChem CID 46890642) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide
PubChem CID46890642
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC NameN-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide
SMILESO=C(Cc1ccccc1)Nc1ccc2c(=O)[nH]ccc2c1
InChIInChI=1S/C17H14N2O2/c20-16(10-12-4-2-1-3-5-12)19-14-6-7-15-13(11-14)8-9-18-17(15)21/h1-9,11H,10H2,(H,18,21)(H,19,20)
InChIKeyZFTKMJDQCQPXDK-UHFFFAOYSA-N
XLogP2.71
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide?
The IUPAC name of N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide (CID 46890642) is N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide.
What is the SMILES notation for N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide?
The canonical SMILES for N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide is O=C(Cc1ccccc1)Nc1ccc2c(=O)[nH]ccc2c1.
What is the InChIKey of N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide?
The InChIKey is ZFTKMJDQCQPXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c20-16(10-12-4-2-1-3-5-12)19-14-6-7-15-13(11-14)8-9-18-17(15)21/h1-9,11H,10H2,(H,18,21)(H,19,20).
What are the key properties of N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide?
N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide has a molecular weight of 278.31 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide is sourced from PubChem (CID 46890642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).