3-isoquinolin-5-ylpropanamide

C12H12N2O — CID 82578287

IUPAC3-isoquinolin-5-ylpropanamide
SMILESNC(=O)CCc1cccc2cnccc12
InChIInChI=1S/C12H12N2O/c13-12(15)5-4-9-2-1-3-10-8-14-7-6-11(9)10/h1-3,6-8H,4-5H2,(H2,13,15)
InChIKeyGZWYFUVFFXLNMU-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.65
Rot. Bonds3

About 3-isoquinolin-5-ylpropanamide

3-isoquinolin-5-ylpropanamide (PubChem CID 82578287) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-isoquinolin-5-ylpropanamide.

Molecular Properties

Compound Name3-isoquinolin-5-ylpropanamide
PubChem CID82578287
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name3-isoquinolin-5-ylpropanamide
SMILESNC(=O)CCc1cccc2cnccc12
InChIInChI=1S/C12H12N2O/c13-12(15)5-4-9-2-1-3-10-8-14-7-6-11(9)10/h1-3,6-8H,4-5H2,(H2,13,15)
InChIKeyGZWYFUVFFXLNMU-UHFFFAOYSA-N
XLogP1.65
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-isoquinolin-5-ylacetamide
CID 68785768
2-(3-isoquinolin-5-ylpropanoylamino)-3-methylbutanamide
CID 167796229
3-(3-methylisoquinolin-5-yl)propanamide
CID 82578305
4-isoquinolin-8-ylbutan-2-one
CID 103144158
3-(8-fluoroisoquinolin-5-yl)propanamide
CID 82578299
3-(8-chloroisoquinolin-5-yl)propanamide
CID 82578302
1-isoquinolin-8-ylpentan-3-one
CID 103144159
2-hydroxy-3-(isoquinolin-5-ylmethylamino)propanamide
CID 106171853
butanedioic acid;isoquinolin-5-amine
CID 158729130
N-(3-isoquinolin-5-ylpropyl)thiohydroxylamine
CID 87755236
N-(1H-indazol-6-yl)-3-isoquinolin-5-ylpropanamide
CID 155966917
2-isoquinolin-5-ylbenzamide
CID 39817654

Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-5-ylpropanamide?
The IUPAC name of 3-isoquinolin-5-ylpropanamide (CID 82578287) is 3-isoquinolin-5-ylpropanamide.
What is the SMILES notation for 3-isoquinolin-5-ylpropanamide?
The canonical SMILES for 3-isoquinolin-5-ylpropanamide is NC(=O)CCc1cccc2cnccc12.
What is the InChIKey of 3-isoquinolin-5-ylpropanamide?
The InChIKey is GZWYFUVFFXLNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c13-12(15)5-4-9-2-1-3-10-8-14-7-6-11(9)10/h1-3,6-8H,4-5H2,(H2,13,15).
What are the key properties of 3-isoquinolin-5-ylpropanamide?
3-isoquinolin-5-ylpropanamide has a molecular weight of 200.24 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-5-ylpropanamide is sourced from PubChem (CID 82578287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).