3-amino-2-[2-(diethylamino)ethyl]isoquinolin-1-one

C15H21N3O — CID 43341001

IUPAC3-amino-2-[2-(diethylamino)ethyl]isoquinolin-1-one
SMILESCCN(CC)CCn1c(N)cc2ccccc2c1=O
InChIInChI=1S/C15H21N3O/c1-3-17(4-2)9-10-18-14(16)11-12-7-5-6-8-13(12)15(18)19/h5-8,11H,3-4,9-10,16H2,1-2H3
InChIKeyHNQDAJPGDBCZGG-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.93
Rot. Bonds5

About 3-amino-2-[2-(diethylamino)ethyl]isoquinolin-1-one

3-amino-2-[2-(diethylamino)ethyl]isoquinolin-1-one (PubChem CID 43341001) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-amino-2-[2-(diethylamino)ethyl]isoquinolin-1-one.

Molecular Properties

Compound Name3-amino-2-[2-(diethylamino)ethyl]isoquinolin-1-one
PubChem CID43341001
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-amino-2-[2-(diethylamino)ethyl]isoquinolin-1-one
SMILESCCN(CC)CCn1c(N)cc2ccccc2c1=O
InChIInChI=1S/C15H21N3O/c1-3-17(4-2)9-10-18-14(16)11-12-7-5-6-8-13(12)15(18)19/h5-8,11H,3-4,9-10,16H2,1-2H3
InChIKeyHNQDAJPGDBCZGG-UHFFFAOYSA-N
XLogP1.93
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-pentylisoquinolin-1-one
CID 43162648
2-(3-amino-1-oxoisoquinolin-2-yl)ethyl carbamate
CID 83203935
3-amino-2-[2-(trifluoromethylsulfanyl)ethyl]isoquinolin-1-one
CID 106432222
3-amino-2-[(1-ethylcyclopropyl)methyl]isoquinolin-1-one
CID 114101614
4-[2-(diethylamino)ethyl]-1,3-dimethylpyrazolo[5,4-c]isoquinolin-5-one
CID 23332746
3-amino-2-[(3-methylphenyl)methyl]isoquinolin-1-one
CID 60902327
3-amino-2-[(2-bromophenyl)methyl]isoquinolin-1-one
CID 61414104
5,7-bis[2-(diethylamino)ethyl]indolo[2,3-c]quinolin-6-one
CID 21445442
2-[2-(diethylamino)ethyl]-4-methylphthalazin-1-one;hydrochloride
CID 3057183
4,11-diamino-2-[3-(diethylamino)propyl]naphtho[2,3-f]isoindole-1,3,5,10-tetrone
CID 1427689
2-[2-(diethylamino)ethyl]-4-methylpyrrolo[3,4-c]quinoline-1,3-dione
CID 15154348
3-[2-(diethylamino)ethyl]-1,5-dihydropyrimido[5,4-b]indole-2,4-dione
CID 15054195

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[2-(diethylamino)ethyl]isoquinolin-1-one?
The IUPAC name of 3-amino-2-[2-(diethylamino)ethyl]isoquinolin-1-one (CID 43341001) is 3-amino-2-[2-(diethylamino)ethyl]isoquinolin-1-one.
What is the SMILES notation for 3-amino-2-[2-(diethylamino)ethyl]isoquinolin-1-one?
The canonical SMILES for 3-amino-2-[2-(diethylamino)ethyl]isoquinolin-1-one is CCN(CC)CCn1c(N)cc2ccccc2c1=O.
What is the InChIKey of 3-amino-2-[2-(diethylamino)ethyl]isoquinolin-1-one?
The InChIKey is HNQDAJPGDBCZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-17(4-2)9-10-18-14(16)11-12-7-5-6-8-13(12)15(18)19/h5-8,11H,3-4,9-10,16H2,1-2H3.
What are the key properties of 3-amino-2-[2-(diethylamino)ethyl]isoquinolin-1-one?
3-amino-2-[2-(diethylamino)ethyl]isoquinolin-1-one has a molecular weight of 259.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[2-(diethylamino)ethyl]isoquinolin-1-one is sourced from PubChem (CID 43341001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).