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

C17H15N3O2 — CID 23156742

IUPAC2-amino-N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide
SMILESNCC(=O)Nc1ccc2cc(-c3ccccc3)[nH]c(=O)c2c1
InChIInChI=1S/C17H15N3O2/c18-10-16(21)19-13-7-6-12-8-15(11-4-2-1-3-5-11)20-17(22)14(12)9-13/h1-9H,10,18H2,(H,19,21)(H,20,22)
InChIKeyMEGFMHDQOIFQNQ-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.09
Rot. Bonds3

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

2-amino-N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide (PubChem CID 23156742) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-amino-N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide
PubChem CID23156742
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-amino-N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide
SMILESNCC(=O)Nc1ccc2cc(-c3ccccc3)[nH]c(=O)c2c1
InChIInChI=1S/C17H15N3O2/c18-10-16(21)19-13-7-6-12-8-15(11-4-2-1-3-5-11)20-17(22)14(12)9-13/h1-9H,10,18H2,(H,19,21)(H,20,22)
InChIKeyMEGFMHDQOIFQNQ-UHFFFAOYSA-N
XLogP2.09
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide?
The IUPAC name of 2-amino-N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide (CID 23156742) is 2-amino-N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide.
What is the SMILES notation for 2-amino-N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide?
The canonical SMILES for 2-amino-N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide is NCC(=O)Nc1ccc2cc(-c3ccccc3)[nH]c(=O)c2c1.
What is the InChIKey of 2-amino-N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide?
The InChIKey is MEGFMHDQOIFQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c18-10-16(21)19-13-7-6-12-8-15(11-4-2-1-3-5-11)20-17(22)14(12)9-13/h1-9H,10,18H2,(H,19,21)(H,20,22).
What are the key properties of 2-amino-N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide?
2-amino-N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide has a molecular weight of 293.33 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide is sourced from PubChem (CID 23156742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).