8-chloro-N-[3-[3-[(8-chloro-5-methylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5-methylacridine-4-carboxamide

C37H35Cl2N5O2 — CID 10794344

IUPAC8-chloro-N-[3-[3-[(8-chloro-5-methylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5-methylacridine-4-carboxamide
SMILESCc1ccc(Cl)c2cc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5cc6c(Cl)ccc(C)c6nc45)c3nc12
InChIInChI=1S/C37H35Cl2N5O2/c1-22-12-14-30(38)28-20-24-8-4-10-26(34(24)42-32(22)28)36(45)40-16-6-18-44(3)19-7-17-41-37(46)27-11-5-9-25-21-29-31(39)15-13-23(2)33(29)43-35(25)27/h4-5,8-15,20-21H,6-7,16-19H2,1-3H3,(H,40,45)(H,41,46)
InChIKeyPNDCZUXYUGUOEJ-UHFFFAOYSA-N
MW652.63 g/mol
LogP7.88
Rot. Bonds10

About 8-chloro-N-[3-[3-[(8-chloro-5-methylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5-methylacridine-4-carboxamide

8-chloro-N-[3-[3-[(8-chloro-5-methylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5-methylacridine-4-carboxamide (PubChem CID 10794344) has the molecular formula C37H35Cl2N5O2 and a molecular weight of 652.63 g/mol. Its IUPAC name is 8-chloro-N-[3-[3-[(8-chloro-5-methylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5-methylacridine-4-carboxamide.

Molecular Properties

Compound Name8-chloro-N-[3-[3-[(8-chloro-5-methylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5-methylacridine-4-carboxamide
PubChem CID10794344
Molecular FormulaC37H35Cl2N5O2
Molecular Weight652.63 g/mol
Exact Mass651.22
IUPAC Name8-chloro-N-[3-[3-[(8-chloro-5-methylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5-methylacridine-4-carboxamide
SMILESCc1ccc(Cl)c2cc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5cc6c(Cl)ccc(C)c6nc45)c3nc12
InChIInChI=1S/C37H35Cl2N5O2/c1-22-12-14-30(38)28-20-24-8-4-10-26(34(24)42-32(22)28)36(45)40-16-6-18-44(3)19-7-17-41-37(46)27-11-5-9-25-21-29-31(39)15-13-23(2)33(29)43-35(25)27/h4-5,8-15,20-21H,6-7,16-19H2,1-3H3,(H,40,45)(H,41,46)
InChIKeyPNDCZUXYUGUOEJ-UHFFFAOYSA-N
XLogP7.88
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.63
LogP ≤ 57.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 8-chloro-N-[3-[3-[(8-chloro-5-methylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5-methylacridine-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 8-chloro-N-[3-[3-[(8-chloro-5-methylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5-methylacridine-4-carboxamide?
The IUPAC name of 8-chloro-N-[3-[3-[(8-chloro-5-methylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5-methylacridine-4-carboxamide (CID 10794344) is 8-chloro-N-[3-[3-[(8-chloro-5-methylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5-methylacridine-4-carboxamide.
What is the SMILES notation for 8-chloro-N-[3-[3-[(8-chloro-5-methylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5-methylacridine-4-carboxamide?
The canonical SMILES for 8-chloro-N-[3-[3-[(8-chloro-5-methylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5-methylacridine-4-carboxamide is Cc1ccc(Cl)c2cc3cccc(C(=O)NCCCN(C)CCCNC(=O)c4cccc5cc6c(Cl)ccc(C)c6nc45)c3nc12.
What is the InChIKey of 8-chloro-N-[3-[3-[(8-chloro-5-methylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5-methylacridine-4-carboxamide?
The InChIKey is PNDCZUXYUGUOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35Cl2N5O2/c1-22-12-14-30(38)28-20-24-8-4-10-26(34(24)42-32(22)28)36(45)40-16-6-18-44(3)19-7-17-41-37(46)27-11-5-9-25-21-29-31(39)15-13-23(2)33(29)43-35(25)27/h4-5,8-15,20-21H,6-7,16-19H2,1-3H3,(H,40,45)(H,41,46).
What are the key properties of 8-chloro-N-[3-[3-[(8-chloro-5-methylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5-methylacridine-4-carboxamide?
8-chloro-N-[3-[3-[(8-chloro-5-methylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5-methylacridine-4-carboxamide has a molecular weight of 652.63 g/mol, XLogP of 7.88, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[3-[3-[(8-chloro-5-methylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5-methylacridine-4-carboxamide is sourced from PubChem (CID 10794344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).