3-(diethylamino)-1-isoquinolin-8-ylpropan-1-one

C16H20N2O — CID 103143337

IUPAC3-(diethylamino)-1-isoquinolin-8-ylpropan-1-one
SMILESCCN(CC)CCC(=O)c1cccc2ccncc12
InChIInChI=1S/C16H20N2O/c1-3-18(4-2)11-9-16(19)14-7-5-6-13-8-10-17-12-15(13)14/h5-8,10,12H,3-4,9,11H2,1-2H3
InChIKeyFTWDQZRMNYQFNL-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.15
Rot. Bonds6

About 3-(diethylamino)-1-isoquinolin-8-ylpropan-1-one

3-(diethylamino)-1-isoquinolin-8-ylpropan-1-one (PubChem CID 103143337) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-(diethylamino)-1-isoquinolin-8-ylpropan-1-one.

Molecular Properties

Compound Name3-(diethylamino)-1-isoquinolin-8-ylpropan-1-one
PubChem CID103143337
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name3-(diethylamino)-1-isoquinolin-8-ylpropan-1-one
SMILESCCN(CC)CCC(=O)c1cccc2ccncc12
InChIInChI=1S/C16H20N2O/c1-3-18(4-2)11-9-16(19)14-7-5-6-13-8-10-17-12-15(13)14/h5-8,10,12H,3-4,9,11H2,1-2H3
InChIKeyFTWDQZRMNYQFNL-UHFFFAOYSA-N
XLogP3.15
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-isoquinolin-8-ylpropan-1-one
CID 103132952
3-ethyl-1-isoquinolin-8-ylpent-2-en-1-one
CID 103458880
1-isoquinolin-8-yl-3,3-dimethylbutan-1-one
CID 103133892
2-tert-butylsulfanyl-1-isoquinolin-8-ylethanone
CID 103143300
isoquinoline-8-carboxylate
CID 86306452
2-(diethylamino)-1-isoquinolin-8-yl-2-methylbutan-1-one
CID 103143332
(3-ethyl-4-pyridinyl)-isoquinolin-8-ylmethanone
CID 103143365
N-benzyl-N-ethylisoquinoline-8-carboxamide
CID 110851851
3-(3-aminophenyl)-1-isoquinolin-8-ylpropan-1-one
CID 103133503
2,2-difluoro-1-isoquinolin-8-ylethanone
CID 103143371
1-isoquinolin-5-yl-4-methylpentan-1-one
CID 62813326
2-(3-ethoxycyclobutyl)-1-isoquinolin-8-ylethanone
CID 103168190

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-isoquinolin-8-ylpropan-1-one?
The IUPAC name of 3-(diethylamino)-1-isoquinolin-8-ylpropan-1-one (CID 103143337) is 3-(diethylamino)-1-isoquinolin-8-ylpropan-1-one.
What is the SMILES notation for 3-(diethylamino)-1-isoquinolin-8-ylpropan-1-one?
The canonical SMILES for 3-(diethylamino)-1-isoquinolin-8-ylpropan-1-one is CCN(CC)CCC(=O)c1cccc2ccncc12.
What is the InChIKey of 3-(diethylamino)-1-isoquinolin-8-ylpropan-1-one?
The InChIKey is FTWDQZRMNYQFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-18(4-2)11-9-16(19)14-7-5-6-13-8-10-17-12-15(13)14/h5-8,10,12H,3-4,9,11H2,1-2H3.
What are the key properties of 3-(diethylamino)-1-isoquinolin-8-ylpropan-1-one?
3-(diethylamino)-1-isoquinolin-8-ylpropan-1-one has a molecular weight of 256.35 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-isoquinolin-8-ylpropan-1-one is sourced from PubChem (CID 103143337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).