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

C17H15N3O2 — CID 68873416

IUPAC2-amino-N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide
SMILESNC(C(=O)Nc1ccc2c(=O)[nH]ccc2c1)c1ccccc1
InChIInChI=1S/C17H15N3O2/c18-15(11-4-2-1-3-5-11)17(22)20-13-6-7-14-12(10-13)8-9-19-16(14)21/h1-10,15H,18H2,(H,19,21)(H,20,22)
InChIKeyNJZMIVUSGDNAHG-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.17
Rot. Bonds3

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

2-amino-N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide (PubChem CID 68873416) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-amino-N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-amino-N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide
PubChem CID68873416
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-amino-N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide
SMILESNC(C(=O)Nc1ccc2c(=O)[nH]ccc2c1)c1ccccc1
InChIInChI=1S/C17H15N3O2/c18-15(11-4-2-1-3-5-11)17(22)20-13-6-7-14-12(10-13)8-9-19-16(14)21/h1-10,15H,18H2,(H,19,21)(H,20,22)
InChIKeyNJZMIVUSGDNAHG-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(1H-indol-5-yl)-2-(4-methylphenyl)acetamide
CID 106151228
(2R)-2-amino-N-(1-benzothiophen-5-yl)-2-phenylacetamide
CID 61179816
(2S)-2-(dimethylamino)-N-(1-oxo-2H-isoquinolin-6-yl)-2-thiophen-3-ylacetamide
CID 86270580
N-(1-oxo-2H-isoquinolin-6-yl)cyclohexanecarboxamide
CID 152967795
(2S)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenylacetamide
CID 104897322
2-fluoro-N-(1-oxo-2H-isoquinolin-6-yl)-2-pyrrolidin-3-ylacetamide
CID 167977687
(2R)-2-amino-N-(3-bromo-4-fluorophenyl)-2-phenylacetamide
CID 103794894
2-amino-N-(4-bromo-3-methylphenyl)-2-phenylacetamide
CID 24709561
5-[[(2R)-2-amino-2-phenylacetyl]amino]-2-bromobenzoic acid
CID 115296327
2-amino-N-(4-chlorophenyl)-2-phenylacetamide
CID 24702199
2,5-dichloro-N-(1-oxo-2H-isoquinolin-6-yl)thiophene-3-carboxamide
CID 24863364
2-[1-(aminomethyl)cyclopropyl]-N-(1-oxo-2H-isoquinolin-6-yl)acetamide
CID 155952448

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide?
The IUPAC name of 2-amino-N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide (CID 68873416) is 2-amino-N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide.
What is the SMILES notation for 2-amino-N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide?
The canonical SMILES for 2-amino-N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide is NC(C(=O)Nc1ccc2c(=O)[nH]ccc2c1)c1ccccc1.
What is the InChIKey of 2-amino-N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide?
The InChIKey is NJZMIVUSGDNAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c18-15(11-4-2-1-3-5-11)17(22)20-13-6-7-14-12(10-13)8-9-19-16(14)21/h1-10,15H,18H2,(H,19,21)(H,20,22).
What are the key properties of 2-amino-N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide?
2-amino-N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide has a molecular weight of 293.33 g/mol, XLogP of 2.17, 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-2H-isoquinolin-6-yl)-2-phenylacetamide is sourced from PubChem (CID 68873416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).