3-(ethylamino)-1-isoquinolin-5-ylbutan-1-one

C15H18N2O — CID 116566876

IUPAC3-(ethylamino)-1-isoquinolin-5-ylbutan-1-one
SMILESCCNC(C)CC(=O)c1cccc2cnccc12
InChIInChI=1S/C15H18N2O/c1-3-17-11(2)9-15(18)14-6-4-5-12-10-16-8-7-13(12)14/h4-8,10-11,17H,3,9H2,1-2H3
InChIKeyYZOCRSQXPDJFOR-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.81
Rot. Bonds5

About 3-(ethylamino)-1-isoquinolin-5-ylbutan-1-one

3-(ethylamino)-1-isoquinolin-5-ylbutan-1-one (PubChem CID 116566876) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-(ethylamino)-1-isoquinolin-5-ylbutan-1-one.

Molecular Properties

Compound Name3-(ethylamino)-1-isoquinolin-5-ylbutan-1-one
PubChem CID116566876
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-(ethylamino)-1-isoquinolin-5-ylbutan-1-one
SMILESCCNC(C)CC(=O)c1cccc2cnccc12
InChIInChI=1S/C15H18N2O/c1-3-17-11(2)9-15(18)14-6-4-5-12-10-16-8-7-13(12)14/h4-8,10-11,17H,3,9H2,1-2H3
InChIKeyYZOCRSQXPDJFOR-UHFFFAOYSA-N
XLogP2.81
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-isoquinolin-5-yl-3-(propan-2-ylamino)propan-1-one
CID 116556574
3-(ethylamino)-1-(4-methyl-3-pyridinyl)butan-1-one
CID 116566853
1-isoquinolin-5-yl-4-methylpentan-1-one
CID 62813326
1-isoquinolin-5-yl-2-methylsulfanylethanone
CID 62813335
1-isoquinolin-5-yl-2-methylsulfonylethanone
CID 55119378
1-isoquinolin-5-yl-2-methoxybutan-1-one
CID 116707361
2-tert-butylsulfanyl-1-isoquinolin-5-ylethanone
CID 65133357
N,N-diethylisoquinoline-5-carboxamide
CID 86202974
4-hydroxy-1-isoquinolin-5-ylbutan-1-one
CID 106677466
2-anilino-1-isoquinolin-5-ylethanone
CID 116555474
1-isoquinolin-5-yl-2-methylsulfonylpropan-1-one
CID 114970914
4-chloro-1-isoquinolin-5-ylbutan-1-one
CID 66047534

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-isoquinolin-5-ylbutan-1-one?
The IUPAC name of 3-(ethylamino)-1-isoquinolin-5-ylbutan-1-one (CID 116566876) is 3-(ethylamino)-1-isoquinolin-5-ylbutan-1-one.
What is the SMILES notation for 3-(ethylamino)-1-isoquinolin-5-ylbutan-1-one?
The canonical SMILES for 3-(ethylamino)-1-isoquinolin-5-ylbutan-1-one is CCNC(C)CC(=O)c1cccc2cnccc12.
What is the InChIKey of 3-(ethylamino)-1-isoquinolin-5-ylbutan-1-one?
The InChIKey is YZOCRSQXPDJFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-3-17-11(2)9-15(18)14-6-4-5-12-10-16-8-7-13(12)14/h4-8,10-11,17H,3,9H2,1-2H3.
What are the key properties of 3-(ethylamino)-1-isoquinolin-5-ylbutan-1-one?
3-(ethylamino)-1-isoquinolin-5-ylbutan-1-one has a molecular weight of 242.32 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-isoquinolin-5-ylbutan-1-one is sourced from PubChem (CID 116566876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).