2-isoquinolin-5-ylacetamide

C11H10N2O — CID 68785768

IUPAC2-isoquinolin-5-ylacetamide
SMILESNC(=O)Cc1cccc2cnccc12
InChIInChI=1S/C11H10N2O/c12-11(14)6-8-2-1-3-9-7-13-5-4-10(8)9/h1-5,7H,6H2,(H2,12,14)
InChIKeyYFCILBWPCLHMEV-UHFFFAOYSA-N
MW186.21 g/mol
LogP1.26
Rot. Bonds2

About 2-isoquinolin-5-ylacetamide

2-isoquinolin-5-ylacetamide (PubChem CID 68785768) has the molecular formula C11H10N2O and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-isoquinolin-5-ylacetamide.

Molecular Properties

Compound Name2-isoquinolin-5-ylacetamide
PubChem CID68785768
Molecular FormulaC11H10N2O
Molecular Weight186.21 g/mol
Exact Mass186.08
IUPAC Name2-isoquinolin-5-ylacetamide
SMILESNC(=O)Cc1cccc2cnccc12
InChIInChI=1S/C11H10N2O/c12-11(14)6-8-2-1-3-9-7-13-5-4-10(8)9/h1-5,7H,6H2,(H2,12,14)
InChIKeyYFCILBWPCLHMEV-UHFFFAOYSA-N
XLogP1.26
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-isoquinolin-5-ylpropanamide
CID 82578287
2-hydroxy-3-(isoquinolin-5-ylmethylamino)propanamide
CID 106171853
2-isoquinolin-5-ylbenzamide
CID 39817654
2-isoquinolin-5-yl-N-(2-pyridin-3-ylethyl)acetamide
CID 11335291
ethyl 2-(isoquinolin-5-ylmethylamino)acetate
CID 62824255
butanedioic acid;isoquinolin-5-amine
CID 158729130
2-isoquinolin-5-yl-N-[5-[4-[5-[(2-isoquinolin-5-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 91896713
2-(3-isoquinolin-5-ylpropanoylamino)-3-methylbutanamide
CID 167796229
2-naphthalen-1-ylacetamide;prop-2-enoic acid
CID 174797435
3-isoquinolin-5-yl-2,2-dimethylpropan-1-amine
CID 82576951
6-(hydroxymethyl)-N-(isoquinolin-5-ylmethyl)-N-methylpyridine-2-carboxamide
CID 70722014
2-tetracen-1-ylacetamide
CID 139927285

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-5-ylacetamide?
The IUPAC name of 2-isoquinolin-5-ylacetamide (CID 68785768) is 2-isoquinolin-5-ylacetamide.
What is the SMILES notation for 2-isoquinolin-5-ylacetamide?
The canonical SMILES for 2-isoquinolin-5-ylacetamide is NC(=O)Cc1cccc2cnccc12.
What is the InChIKey of 2-isoquinolin-5-ylacetamide?
The InChIKey is YFCILBWPCLHMEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O/c12-11(14)6-8-2-1-3-9-7-13-5-4-10(8)9/h1-5,7H,6H2,(H2,12,14).
What are the key properties of 2-isoquinolin-5-ylacetamide?
2-isoquinolin-5-ylacetamide has a molecular weight of 186.21 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-5-ylacetamide is sourced from PubChem (CID 68785768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).