2-[3-(dimethylamino)propyl]-6-prop-2-enoxybenzo[de]isoquinoline-1,3-dione

C20H22N2O3 — CID 155341943

IUPAC2-[3-(dimethylamino)propyl]-6-prop-2-enoxybenzo[de]isoquinoline-1,3-dione
SMILESC=CCOc1ccc2c3c(cccc13)C(=O)N(CCCN(C)C)C2=O
InChIInChI=1S/C20H22N2O3/c1-4-13-25-17-10-9-16-18-14(17)7-5-8-15(18)19(23)22(20(16)24)12-6-11-21(2)3/h4-5,7-10H,1,6,11-13H2,2-3H3
InChIKeySVVVMNPXUGEUHN-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.95
Rot. Bonds7

About 2-[3-(dimethylamino)propyl]-6-prop-2-enoxybenzo[de]isoquinoline-1,3-dione

2-[3-(dimethylamino)propyl]-6-prop-2-enoxybenzo[de]isoquinoline-1,3-dione (PubChem CID 155341943) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propyl]-6-prop-2-enoxybenzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-[3-(dimethylamino)propyl]-6-prop-2-enoxybenzo[de]isoquinoline-1,3-dione
PubChem CID155341943
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-[3-(dimethylamino)propyl]-6-prop-2-enoxybenzo[de]isoquinoline-1,3-dione
SMILESC=CCOc1ccc2c3c(cccc13)C(=O)N(CCCN(C)C)C2=O
InChIInChI=1S/C20H22N2O3/c1-4-13-25-17-10-9-16-18-14(17)7-5-8-15(18)19(23)22(20(16)24)12-6-11-21(2)3/h4-5,7-10H,1,6,11-13H2,2-3H3
InChIKeySVVVMNPXUGEUHN-UHFFFAOYSA-N
XLogP2.95
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-(dimethylamino)propyl]-6-prop-2-enoxybenzo[de]isoquinoline-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(dimethylamino)ethyl]-6-phenoxybenzo[de]isoquinoline-1,3-dione
CID 102447581
7,18-bis[3-(dimethylamino)propyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 3555371
6-(3-aminopropoxy)-2-butylbenzo[de]isoquinoline-1,3-dione
CID 132536505
2-(3-aminopropyl)-6-(2-methoxyethoxy)benzo[de]isoquinoline-1,3-dione
CID 71661976
3-chloro-2-methylprop-1-ene;2-[3-(dimethylamino)propyl]-6-methoxybenzo[de]isoquinoline-1,3-dione;methane;3-(6-methoxy-1,3-dioxobenzo[de]isoquinolin-2-yl)propyl-dimethyl-(2-methylprop-2-enyl)azanium;propan-2-ol;chloride
CID 163883506
4-(6-methoxy-1,3-dioxobenzo[de]isoquinolin-2-yl)butanoic acid
CID 102004284
7-(2-aminopropyl)-18-[3-(dimethylamino)propyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 22085404
2-[7-(dimethylamino)heptyl]isoindole-1,3-dione
CID 139959528
6-[methyl(3-sulfanylpropyl)amino]-2-(2-sulfanylethyl)benzo[de]isoquinoline-1,3-dione
CID 142469191
2-butyl-6-[tert-butyl(diphenyl)silyl]oxybenzo[de]isoquinoline-1,3-dione
CID 102219022
2-[3-[6-[3-(1,3-dioxobenzo[de]isoquinolin-2-yl)propyl-methylamino]hexyl-methylamino]propyl]benzo[de]isoquinoline-1,3-dione
CID 16725978
6-[2-(4-octoxynaphthalen-1-yl)ethynyl]-2-octylbenzo[de]isoquinoline-1,3-dione
CID 102221338

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propyl]-6-prop-2-enoxybenzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-[3-(dimethylamino)propyl]-6-prop-2-enoxybenzo[de]isoquinoline-1,3-dione (CID 155341943) is 2-[3-(dimethylamino)propyl]-6-prop-2-enoxybenzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-[3-(dimethylamino)propyl]-6-prop-2-enoxybenzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-[3-(dimethylamino)propyl]-6-prop-2-enoxybenzo[de]isoquinoline-1,3-dione is C=CCOc1ccc2c3c(cccc13)C(=O)N(CCCN(C)C)C2=O.
What is the InChIKey of 2-[3-(dimethylamino)propyl]-6-prop-2-enoxybenzo[de]isoquinoline-1,3-dione?
The InChIKey is SVVVMNPXUGEUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-4-13-25-17-10-9-16-18-14(17)7-5-8-15(18)19(23)22(20(16)24)12-6-11-21(2)3/h4-5,7-10H,1,6,11-13H2,2-3H3.
What are the key properties of 2-[3-(dimethylamino)propyl]-6-prop-2-enoxybenzo[de]isoquinoline-1,3-dione?
2-[3-(dimethylamino)propyl]-6-prop-2-enoxybenzo[de]isoquinoline-1,3-dione has a molecular weight of 338.41 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propyl]-6-prop-2-enoxybenzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 155341943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).