6-[3-(dimethylamino)propylamino]-2-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione

C25H25N5O3 — CID 130471864

IUPAC6-[3-(dimethylamino)propylamino]-2-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
SMILESCN(C)CCCNc1ccc2c3c(cccc13)C(=O)N(c1ccc3[nH]c(=O)n(C)c3c1)C2=O
InChIInChI=1S/C25H25N5O3/c1-28(2)13-5-12-26-19-11-9-18-22-16(19)6-4-7-17(22)23(31)30(24(18)32)15-8-10-20-21(14-15)29(3)25(33)27-20/h4,6-11,14,26H,5,12-13H2,1-3H3,(H,27,33)
InChIKeyWSFGBKHTRSXOJX-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.18
Rot. Bonds6

About 6-[3-(dimethylamino)propylamino]-2-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione

6-[3-(dimethylamino)propylamino]-2-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione (PubChem CID 130471864) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propylamino]-2-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name6-[3-(dimethylamino)propylamino]-2-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
PubChem CID130471864
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name6-[3-(dimethylamino)propylamino]-2-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
SMILESCN(C)CCCNc1ccc2c3c(cccc13)C(=O)N(c1ccc3[nH]c(=O)n(C)c3c1)C2=O
InChIInChI=1S/C25H25N5O3/c1-28(2)13-5-12-26-19-11-9-18-22-16(19)6-4-7-17(22)23(31)30(24(18)32)15-8-10-20-21(14-15)29(3)25(33)27-20/h4,6-11,14,26H,5,12-13H2,1-3H3,(H,27,33)
InChIKeyWSFGBKHTRSXOJX-UHFFFAOYSA-N
XLogP3.18
TPSA90.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[3-(dimethylamino)propylamino]-2-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzo[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

6-(3-hydroxypropyl)-2-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
CID 130471889
6-bromo-2-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
CID 130472237
6-(butylamino)-2-methylbenzo[de]isoquinoline-1,3-dione
CID 89468093
2-(3-methyl-2-oxo-1H-benzimidazol-5-yl)-6-[(4-oxo-1,4-oxathian-4-ylidene)amino]benzo[de]isoquinoline-1,3-dione
CID 130471716
2-(4-bromophenyl)-6-(2-hydroxyethylamino)benzo[de]isoquinoline-1,3-dione
CID 11596714
6-[2-(diethylamino)ethylamino]-2-[2-(dimethylamino)ethyl]benzo[de]isoquinoline-1,3-dione
CID 44579342
4-[6-(butylamino)-1,3-dioxobenzo[de]isoquinolin-2-yl]benzenesulfonamide
CID 71741249
6-(2-aminoethylamino)-2-(3-bromophenyl)benzo[de]isoquinoline-1,3-dione
CID 11603937
6-(2-aminoethylamino)-2-phenylbenzo[de]isoquinoline-1,3-dione
CID 11566147
6-(2-aminoethylamino)-2-(4-methoxyphenyl)benzo[de]isoquinoline-1,3-dione
CID 15404948
(2-methyl-4-oxopyran-3-yl) 6-[6-[3-(dimethylamino)propylamino]-1,3-dioxobenzo[de]isoquinolin-2-yl]hexanoate
CID 90219547
2-butyl-6-(butylamino)-3-sulfanylidenebenzo[de]isoquinolin-1-one
CID 102581507

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propylamino]-2-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 6-[3-(dimethylamino)propylamino]-2-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione (CID 130471864) is 6-[3-(dimethylamino)propylamino]-2-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 6-[3-(dimethylamino)propylamino]-2-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 6-[3-(dimethylamino)propylamino]-2-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione is CN(C)CCCNc1ccc2c3c(cccc13)C(=O)N(c1ccc3[nH]c(=O)n(C)c3c1)C2=O.
What is the InChIKey of 6-[3-(dimethylamino)propylamino]-2-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is WSFGBKHTRSXOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-28(2)13-5-12-26-19-11-9-18-22-16(19)6-4-7-17(22)23(31)30(24(18)32)15-8-10-20-21(14-15)29(3)25(33)27-20/h4,6-11,14,26H,5,12-13H2,1-3H3,(H,27,33).
What are the key properties of 6-[3-(dimethylamino)propylamino]-2-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione?
6-[3-(dimethylamino)propylamino]-2-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 443.51 g/mol, XLogP of 3.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propylamino]-2-(3-methyl-2-oxo-1H-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 130471864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).