N-isoquinolin-8-yl-2-(2-methoxyethoxy)acetamide

C14H16N2O3 — CID 103747528

IUPACN-isoquinolin-8-yl-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)Nc1cccc2ccncc12
InChIInChI=1S/C14H16N2O3/c1-18-7-8-19-10-14(17)16-13-4-2-3-11-5-6-15-9-12(11)13/h2-6,9H,7-8,10H2,1H3,(H,16,17)
InChIKeyLCSNNPHPUOSAHS-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.84
Rot. Bonds6

About N-isoquinolin-8-yl-2-(2-methoxyethoxy)acetamide

N-isoquinolin-8-yl-2-(2-methoxyethoxy)acetamide (PubChem CID 103747528) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-isoquinolin-8-yl-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-isoquinolin-8-yl-2-(2-methoxyethoxy)acetamide
PubChem CID103747528
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-isoquinolin-8-yl-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)Nc1cccc2ccncc12
InChIInChI=1S/C14H16N2O3/c1-18-7-8-19-10-14(17)16-13-4-2-3-11-5-6-15-9-12(11)13/h2-6,9H,7-8,10H2,1H3,(H,16,17)
InChIKeyLCSNNPHPUOSAHS-UHFFFAOYSA-N
XLogP1.84
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N-isoquinolin-5-ylacetamide
CID 60719162
isoquinolin-8-ylurea
CID 67363282
N-(2-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
CID 103819290
2,2,2-trichloro-N-isoquinolin-8-ylacetamide
CID 22032621
methyl 2-hydroxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate
CID 108745791
2-(2-aminoethoxy)-N-(4-methyl-3-pyridinyl)acetamide
CID 79478693
2-[2-(isoquinolin-8-ylamino)-2-oxoethyl]benzoic acid
CID 11779892
3-[(2-propoxyacetyl)amino]pyridine-4-carboxylic acid
CID 107938048
2-chloro-6-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid
CID 63724965
N-[2-[[[2-(2-methoxyethoxy)acetyl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926070
3-(isoquinolin-8-ylcarbamoylamino)-2-methoxypropanoic acid
CID 106110351
4-fluoro-2-iodo-N-isoquinolin-8-ylbenzamide
CID 103747532

Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-8-yl-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-isoquinolin-8-yl-2-(2-methoxyethoxy)acetamide (CID 103747528) is N-isoquinolin-8-yl-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-isoquinolin-8-yl-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-isoquinolin-8-yl-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)Nc1cccc2ccncc12.
What is the InChIKey of N-isoquinolin-8-yl-2-(2-methoxyethoxy)acetamide?
The InChIKey is LCSNNPHPUOSAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-18-7-8-19-10-14(17)16-13-4-2-3-11-5-6-15-9-12(11)13/h2-6,9H,7-8,10H2,1H3,(H,16,17).
What are the key properties of N-isoquinolin-8-yl-2-(2-methoxyethoxy)acetamide?
N-isoquinolin-8-yl-2-(2-methoxyethoxy)acetamide has a molecular weight of 260.29 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-8-yl-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 103747528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).