2-(diethylamino)-1-isoquinolin-8-yl-2-methylbutan-1-one

C18H24N2O — CID 103143332

IUPAC2-(diethylamino)-1-isoquinolin-8-yl-2-methylbutan-1-one
SMILESCCN(CC)C(C)(CC)C(=O)c1cccc2ccncc12
InChIInChI=1S/C18H24N2O/c1-5-18(4,20(6-2)7-3)17(21)15-10-8-9-14-11-12-19-13-16(14)15/h8-13H,5-7H2,1-4H3
InChIKeyVJWJXQNZCWWLJY-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.93
Rot. Bonds6

About 2-(diethylamino)-1-isoquinolin-8-yl-2-methylbutan-1-one

2-(diethylamino)-1-isoquinolin-8-yl-2-methylbutan-1-one (PubChem CID 103143332) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(diethylamino)-1-isoquinolin-8-yl-2-methylbutan-1-one.

Molecular Properties

Compound Name2-(diethylamino)-1-isoquinolin-8-yl-2-methylbutan-1-one
PubChem CID103143332
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-(diethylamino)-1-isoquinolin-8-yl-2-methylbutan-1-one
SMILESCCN(CC)C(C)(CC)C(=O)c1cccc2ccncc12
InChIInChI=1S/C18H24N2O/c1-5-18(4,20(6-2)7-3)17(21)15-10-8-9-14-11-12-19-13-16(14)15/h8-13H,5-7H2,1-4H3
InChIKeyVJWJXQNZCWWLJY-UHFFFAOYSA-N
XLogP3.93
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-2-methyl-1-naphthalen-1-ylbutan-1-one
CID 79057550
2-(diethylamino)-2-methyl-1-quinolin-8-ylbutan-1-one
CID 81196407
1-(4-amino-3-pyridinyl)-2-(diethylamino)-2-methylbutan-1-one
CID 79063685
1-isoquinolin-8-yl-3,3-dimethylbutan-1-one
CID 103133892
3-(diethylamino)-1-isoquinolin-8-ylpropan-1-one
CID 103143337
2-tert-butylsulfanyl-1-isoquinolin-8-ylethanone
CID 103143300
2-(diethylamino)-2-methyl-1-pyrazin-2-ylbutan-1-one
CID 79063034
isoquinoline-8-carboxylate
CID 86306452
1-(3-bromo-2-fluorophenyl)-2-(diethylamino)-2-methylbutan-1-one
CID 106644859
(3-ethyl-4-pyridinyl)-isoquinolin-8-ylmethanone
CID 103143365
N-benzyl-N-ethylisoquinoline-8-carboxamide
CID 110851851
3-ethyl-1-isoquinolin-8-ylpent-2-en-1-one
CID 103458880

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1-isoquinolin-8-yl-2-methylbutan-1-one?
The IUPAC name of 2-(diethylamino)-1-isoquinolin-8-yl-2-methylbutan-1-one (CID 103143332) is 2-(diethylamino)-1-isoquinolin-8-yl-2-methylbutan-1-one.
What is the SMILES notation for 2-(diethylamino)-1-isoquinolin-8-yl-2-methylbutan-1-one?
The canonical SMILES for 2-(diethylamino)-1-isoquinolin-8-yl-2-methylbutan-1-one is CCN(CC)C(C)(CC)C(=O)c1cccc2ccncc12.
What is the InChIKey of 2-(diethylamino)-1-isoquinolin-8-yl-2-methylbutan-1-one?
The InChIKey is VJWJXQNZCWWLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-5-18(4,20(6-2)7-3)17(21)15-10-8-9-14-11-12-19-13-16(14)15/h8-13H,5-7H2,1-4H3.
What are the key properties of 2-(diethylamino)-1-isoquinolin-8-yl-2-methylbutan-1-one?
2-(diethylamino)-1-isoquinolin-8-yl-2-methylbutan-1-one has a molecular weight of 284.40 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1-isoquinolin-8-yl-2-methylbutan-1-one is sourced from PubChem (CID 103143332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).