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

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Related Compounds

N-(1-oxo-3-phenyl-2H-isoquinolin-7-yl)acetamide
CID 23156859
N-methyl-1-oxo-3-phenyl-2H-isoquinoline-7-carboxamide
CID 67768528
2-amino-N-(4-phenylphenyl)acetamide
CID 43218250
2-amino-N-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]acetamide
CID 136884117
N-[1-oxo-3-[2-(trifluoromethyl)phenyl]-2H-isoquinolin-7-yl]benzamide
CID 23156815
2-amino-N-(3-ethyl-4-phenylphenyl)acetamide
CID 173329508
4-(1-oxo-2H-isoquinolin-3-yl)benzoic acid
CID 82667154
7-[methyl-[(2S,3R)-2,3,4-trihydroxybutyl]amino]-3-phenyl-2H-isoquinolin-1-one
CID 58941649
2-amino-N-(6-hydroxynaphthalen-2-yl)acetamide
CID 18931987
2-amino-N-[3-(4-oxo-3H-phthalazin-1-yl)phenyl]acetamide;2,2,2-trifluoroacetic acid
CID 23449590
2-amino-N-(6-methylnaphthalen-2-yl)acetamide
CID 115151559
2-(3-amino-2-oxo-6-phenyl-1H-pyridin-4-yl)acetic acid
CID 70131440

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).