2-amino-N-[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]propanamide;hydrochloride

C19H23ClN4O3 — CID 71608132

IUPAC2-amino-N-[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]propanamide;hydrochloride
SMILESCC(N)C(=O)Nc1ccc2c3c(cccc13)C(=O)N(CCN(C)C)C2=O.Cl
InChIInChI=1S/C19H22N4O3.ClH/c1-11(20)17(24)21-15-8-7-14-16-12(15)5-4-6-13(16)18(25)23(19(14)26)10-9-22(2)3;/h4-8,11H,9-10,20H2,1-3H3,(H,21,24);1H
InChIKeyJMUFGLXKJXFEGP-UHFFFAOYSA-N
MW390.87 g/mol
LogP1.70
Rot. Bonds5

About 2-amino-N-[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]propanamide;hydrochloride

2-amino-N-[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]propanamide;hydrochloride (PubChem CID 71608132) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is 2-amino-N-[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]propanamide;hydrochloride
PubChem CID71608132
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name2-amino-N-[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]propanamide;hydrochloride
SMILESCC(N)C(=O)Nc1ccc2c3c(cccc13)C(=O)N(CCN(C)C)C2=O.Cl
InChIInChI=1S/C19H22N4O3.ClH/c1-11(20)17(24)21-15-8-7-14-16-12(15)5-4-6-13(16)18(25)23(19(14)26)10-9-22(2)3;/h4-8,11H,9-10,20H2,1-3H3,(H,21,24);1H
InChIKeyJMUFGLXKJXFEGP-UHFFFAOYSA-N
XLogP1.70
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

6-[2-(diethylamino)ethylamino]-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione
CID 44579342
N-[15-[2-(dimethylamino)ethyl]-14,16-dioxo-15-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12-heptaen-10-yl]acetamide
CID 10339437
[4-[tert-butyl(dimethyl)silyl]oxyphenyl]methyl N-[2-[3-(dimethylamino)propyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]carbamate
CID 122233012
N-[2-[2-(dimethylamino)ethyl]-1-oxo-3H-benzo[de]isoquinolin-6-yl]acetamide
CID 121289138
2-[2-(dimethylamino)ethyl]-6-phenoxybenzo[de]isoquinoline-1,3-dione
CID 102447581
N-(1,3-dioxobenzo[de]isoquinolin-6-yl)-2-methylpropanamide
CID 2841476
2-[6-(methylamino)-1,3-dioxobenzo[de]isoquinolin-2-yl]acetic acid
CID 4033927
4-[6-(dimethylamino)-1,3-dioxobenzo[de]isoquinolin-2-yl]-2-methylbutanoic acid
CID 59398495
(2S)-2-amino-N-(4-hydroxynaphthalen-1-yl)propanamide;hydrochloride
CID 46179715
2-[3-(dimethylamino)propyl]-6-prop-2-enoxybenzo[de]isoquinoline-1,3-dione
CID 155341943
6-(2-hydroxyethylamino)-2-octylbenzo[de]isoquinoline-1,3-dione
CID 44787344
[4-[(2-ethyl-1,3-dioxobenzo[de]isoquinolin-6-yl)carbamoyloxymethyl]phenyl]boronic acid
CID 170898459

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]propanamide;hydrochloride?
The IUPAC name of 2-amino-N-[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]propanamide;hydrochloride (CID 71608132) is 2-amino-N-[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]propanamide;hydrochloride is CC(N)C(=O)Nc1ccc2c3c(cccc13)C(=O)N(CCN(C)C)C2=O.Cl.
What is the InChIKey of 2-amino-N-[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]propanamide;hydrochloride?
The InChIKey is JMUFGLXKJXFEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3.ClH/c1-11(20)17(24)21-15-8-7-14-16-12(15)5-4-6-13(16)18(25)23(19(14)26)10-9-22(2)3;/h4-8,11H,9-10,20H2,1-3H3,(H,21,24);1H.
What are the key properties of 2-amino-N-[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]propanamide;hydrochloride?
2-amino-N-[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]propanamide;hydrochloride has a molecular weight of 390.87 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[2-(dimethylamino)ethyl]-1,3-dioxobenzo[de]isoquinolin-6-yl]propanamide;hydrochloride is sourced from PubChem (CID 71608132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).