N-[2-(dimethylamino)ethyl]-1-[3-[3-[[4-[2-(dimethylamino)ethylcarbamoyl]acridin-1-yl]amino]propyl-methylamino]propylamino]acridine-4-carboxamide

C43H53N9O2 — CID 10930609

IUPACN-[2-(dimethylamino)ethyl]-1-[3-[3-[[4-[2-(dimethylamino)ethylcarbamoyl]acridin-1-yl]amino]propyl-methylamino]propylamino]acridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(NCCCN(C)CCCNc2ccc(C(=O)NCCN(C)C)c3nc4ccccc4cc23)c2cc3ccccc3nc12
InChIInChI=1S/C43H53N9O2/c1-50(2)26-22-46-42(53)32-16-18-38(34-28-30-12-6-8-14-36(30)48-40(32)34)44-20-10-24-52(5)25-11-21-45-39-19-17-33(43(54)47-23-27-51(3)4)41-35(39)29-31-13-7-9-15-37(31)49-41/h6-9,12-19,28-29,44-45H,10-11,20-27H2,1-5H3,(H,46,53)(H,47,54)
InChIKeyFUVBAFZHEIHPPW-UHFFFAOYSA-N
MW727.96 g/mol
LogP5.91
Rot. Bonds18

About N-[2-(dimethylamino)ethyl]-1-[3-[3-[[4-[2-(dimethylamino)ethylcarbamoyl]acridin-1-yl]amino]propyl-methylamino]propylamino]acridine-4-carboxamide

N-[2-(dimethylamino)ethyl]-1-[3-[3-[[4-[2-(dimethylamino)ethylcarbamoyl]acridin-1-yl]amino]propyl-methylamino]propylamino]acridine-4-carboxamide (PubChem CID 10930609) has the molecular formula C43H53N9O2 and a molecular weight of 727.96 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-[3-[3-[[4-[2-(dimethylamino)ethylcarbamoyl]acridin-1-yl]amino]propyl-methylamino]propylamino]acridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-[3-[3-[[4-[2-(dimethylamino)ethylcarbamoyl]acridin-1-yl]amino]propyl-methylamino]propylamino]acridine-4-carboxamide
PubChem CID10930609
Molecular FormulaC43H53N9O2
Molecular Weight727.96 g/mol
Exact Mass727.43
IUPAC NameN-[2-(dimethylamino)ethyl]-1-[3-[3-[[4-[2-(dimethylamino)ethylcarbamoyl]acridin-1-yl]amino]propyl-methylamino]propylamino]acridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(NCCCN(C)CCCNc2ccc(C(=O)NCCN(C)C)c3nc4ccccc4cc23)c2cc3ccccc3nc12
InChIInChI=1S/C43H53N9O2/c1-50(2)26-22-46-42(53)32-16-18-38(34-28-30-12-6-8-14-36(30)48-40(32)34)44-20-10-24-52(5)25-11-21-45-39-19-17-33(43(54)47-23-27-51(3)4)41-35(39)29-31-13-7-9-15-37(31)49-41/h6-9,12-19,28-29,44-45H,10-11,20-27H2,1-5H3,(H,46,53)(H,47,54)
InChIKeyFUVBAFZHEIHPPW-UHFFFAOYSA-N
XLogP5.91
TPSA117.76 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds18
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500727.96
LogP ≤ 55.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze N-[2-(dimethylamino)ethyl]-1-[3-[3-[[4-[2-(dimethylamino)ethylcarbamoyl]acridin-1-yl]amino]propyl-methylamino]propylamino]acridine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-[3-[3-[[4-[2-(dimethylamino)ethylcarbamoyl]acridin-1-yl]amino]propyl-methylamino]propylamino]acridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-[3-[3-[[4-[2-(dimethylamino)ethylcarbamoyl]acridin-1-yl]amino]propyl-methylamino]propylamino]acridine-4-carboxamide (CID 10930609) is N-[2-(dimethylamino)ethyl]-1-[3-[3-[[4-[2-(dimethylamino)ethylcarbamoyl]acridin-1-yl]amino]propyl-methylamino]propylamino]acridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-[3-[3-[[4-[2-(dimethylamino)ethylcarbamoyl]acridin-1-yl]amino]propyl-methylamino]propylamino]acridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-[3-[3-[[4-[2-(dimethylamino)ethylcarbamoyl]acridin-1-yl]amino]propyl-methylamino]propylamino]acridine-4-carboxamide is CN(C)CCNC(=O)c1ccc(NCCCN(C)CCCNc2ccc(C(=O)NCCN(C)C)c3nc4ccccc4cc23)c2cc3ccccc3nc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-[3-[3-[[4-[2-(dimethylamino)ethylcarbamoyl]acridin-1-yl]amino]propyl-methylamino]propylamino]acridine-4-carboxamide?
The InChIKey is FUVBAFZHEIHPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H53N9O2/c1-50(2)26-22-46-42(53)32-16-18-38(34-28-30-12-6-8-14-36(30)48-40(32)34)44-20-10-24-52(5)25-11-21-45-39-19-17-33(43(54)47-23-27-51(3)4)41-35(39)29-31-13-7-9-15-37(31)49-41/h6-9,12-19,28-29,44-45H,10-11,20-27H2,1-5H3,(H,46,53)(H,47,54).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-[3-[3-[[4-[2-(dimethylamino)ethylcarbamoyl]acridin-1-yl]amino]propyl-methylamino]propylamino]acridine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-1-[3-[3-[[4-[2-(dimethylamino)ethylcarbamoyl]acridin-1-yl]amino]propyl-methylamino]propylamino]acridine-4-carboxamide has a molecular weight of 727.96 g/mol, XLogP of 5.91, 18 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-[3-[3-[[4-[2-(dimethylamino)ethylcarbamoyl]acridin-1-yl]amino]propyl-methylamino]propylamino]acridine-4-carboxamide is sourced from PubChem (CID 10930609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).