2-nitroso-N-(5-phenylisoquinolin-8-yl)acetamide

C17H13N3O2 — CID 90785048

IUPAC2-nitroso-N-(5-phenylisoquinolin-8-yl)acetamide
SMILESO=NCC(=O)Nc1ccc(-c2ccccc2)c2ccncc12
InChIInChI=1S/C17H13N3O2/c21-17(11-19-22)20-16-7-6-13(12-4-2-1-3-5-12)14-8-9-18-10-15(14)16/h1-10H,11H2,(H,20,21)
InChIKeyYUBJKNMOSWQPHO-UHFFFAOYSA-N
MW291.31 g/mol
LogP3.61
Rot. Bonds4

About 2-nitroso-N-(5-phenylisoquinolin-8-yl)acetamide

2-nitroso-N-(5-phenylisoquinolin-8-yl)acetamide (PubChem CID 90785048) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-nitroso-N-(5-phenylisoquinolin-8-yl)acetamide.

Molecular Properties

Compound Name2-nitroso-N-(5-phenylisoquinolin-8-yl)acetamide
PubChem CID90785048
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name2-nitroso-N-(5-phenylisoquinolin-8-yl)acetamide
SMILESO=NCC(=O)Nc1ccc(-c2ccccc2)c2ccncc12
InChIInChI=1S/C17H13N3O2/c21-17(11-19-22)20-16-7-6-13(12-4-2-1-3-5-12)14-8-9-18-10-15(14)16/h1-10H,11H2,(H,20,21)
InChIKeyYUBJKNMOSWQPHO-UHFFFAOYSA-N
XLogP3.61
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide
CID 7327457
3-fluoro-N-[(5-phenylisoquinolin-8-yl)methyl]benzamide
CID 7439016
2-(4-chlorophenoxy)-N-[(5-phenylisoquinolin-8-yl)methyl]acetamide
CID 7287962
2-phenyl-N-(5-phenylquinolin-8-yl)acetamide
CID 141483582
4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)-N-(5-piperidin-1-ylisoquinolin-8-yl)butanamide
CID 26075000
2-[2-(isoquinolin-8-ylamino)-2-oxoethyl]benzoic acid
CID 11779892
N-[4-oxo-4-[(5-piperidin-1-ylisoquinolin-8-yl)amino]butyl]benzamide
CID 39235528
1-benzyl-3-[[5-(4-methylphenyl)isoquinolin-8-yl]methyl]urea
CID 7362545
N-[(2-fluorophenyl)methyl]-1-(5-phenylisoquinolin-8-yl)methanamine
CID 42797597
2-chloro-N-(8-fluoroisoquinolin-5-yl)acetamide
CID 167973852
2-anilino-N-isoquinolin-5-ylacetamide
CID 60860768
N-isoquinolin-5-yl-3,3-dimethylbutanamide
CID 29371824

Frequently Asked Questions

What is the IUPAC name of 2-nitroso-N-(5-phenylisoquinolin-8-yl)acetamide?
The IUPAC name of 2-nitroso-N-(5-phenylisoquinolin-8-yl)acetamide (CID 90785048) is 2-nitroso-N-(5-phenylisoquinolin-8-yl)acetamide.
What is the SMILES notation for 2-nitroso-N-(5-phenylisoquinolin-8-yl)acetamide?
The canonical SMILES for 2-nitroso-N-(5-phenylisoquinolin-8-yl)acetamide is O=NCC(=O)Nc1ccc(-c2ccccc2)c2ccncc12.
What is the InChIKey of 2-nitroso-N-(5-phenylisoquinolin-8-yl)acetamide?
The InChIKey is YUBJKNMOSWQPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c21-17(11-19-22)20-16-7-6-13(12-4-2-1-3-5-12)14-8-9-18-10-15(14)16/h1-10H,11H2,(H,20,21).
What are the key properties of 2-nitroso-N-(5-phenylisoquinolin-8-yl)acetamide?
2-nitroso-N-(5-phenylisoquinolin-8-yl)acetamide has a molecular weight of 291.31 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitroso-N-(5-phenylisoquinolin-8-yl)acetamide is sourced from PubChem (CID 90785048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).