1-chloro-N-[3-[3-[(1-chloro-5-methylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5-methylacridine-4-carboxamide

C37H35Cl2N5O2 — CID 10794345

IUPAC1-chloro-N-[3-[3-[(1-chloro-5-methylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5-methylacridine-4-carboxamide
SMILESCc1cccc2cc3c(Cl)ccc(C(=O)NCCCN(C)CCCNC(=O)c4ccc(Cl)c5cc6cccc(C)c6nc45)c3nc12
InChIInChI=1S/C37H35Cl2N5O2/c1-22-8-4-10-24-20-28-30(38)14-12-26(34(28)42-32(22)24)36(45)40-16-6-18-44(3)19-7-17-41-37(46)27-13-15-31(39)29-21-25-11-5-9-23(2)33(25)43-35(27)29/h4-5,8-15,20-21H,6-7,16-19H2,1-3H3,(H,40,45)(H,41,46)
InChIKeyWCZUOJVHIDLUIX-UHFFFAOYSA-N
MW652.63 g/mol
LogP7.88
Rot. Bonds10

About 1-chloro-N-[3-[3-[(1-chloro-5-methylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5-methylacridine-4-carboxamide

1-chloro-N-[3-[3-[(1-chloro-5-methylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5-methylacridine-4-carboxamide (PubChem CID 10794345) has the molecular formula C37H35Cl2N5O2 and a molecular weight of 652.63 g/mol. Its IUPAC name is 1-chloro-N-[3-[3-[(1-chloro-5-methylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5-methylacridine-4-carboxamide.

Molecular Properties

Compound Name1-chloro-N-[3-[3-[(1-chloro-5-methylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5-methylacridine-4-carboxamide
PubChem CID10794345
Molecular FormulaC37H35Cl2N5O2
Molecular Weight652.63 g/mol
Exact Mass651.22
IUPAC Name1-chloro-N-[3-[3-[(1-chloro-5-methylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5-methylacridine-4-carboxamide
SMILESCc1cccc2cc3c(Cl)ccc(C(=O)NCCCN(C)CCCNC(=O)c4ccc(Cl)c5cc6cccc(C)c6nc45)c3nc12
InChIInChI=1S/C37H35Cl2N5O2/c1-22-8-4-10-24-20-28-30(38)14-12-26(34(28)42-32(22)24)36(45)40-16-6-18-44(3)19-7-17-41-37(46)27-13-15-31(39)29-21-25-11-5-9-23(2)33(25)43-35(27)29/h4-5,8-15,20-21H,6-7,16-19H2,1-3H3,(H,40,45)(H,41,46)
InChIKeyWCZUOJVHIDLUIX-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 1-chloro-N-[3-[3-[(1-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 1-chloro-N-[3-[3-[(1-chloro-5-methylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5-methylacridine-4-carboxamide?
The IUPAC name of 1-chloro-N-[3-[3-[(1-chloro-5-methylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5-methylacridine-4-carboxamide (CID 10794345) is 1-chloro-N-[3-[3-[(1-chloro-5-methylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5-methylacridine-4-carboxamide.
What is the SMILES notation for 1-chloro-N-[3-[3-[(1-chloro-5-methylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5-methylacridine-4-carboxamide?
The canonical SMILES for 1-chloro-N-[3-[3-[(1-chloro-5-methylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5-methylacridine-4-carboxamide is Cc1cccc2cc3c(Cl)ccc(C(=O)NCCCN(C)CCCNC(=O)c4ccc(Cl)c5cc6cccc(C)c6nc45)c3nc12.
What is the InChIKey of 1-chloro-N-[3-[3-[(1-chloro-5-methylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5-methylacridine-4-carboxamide?
The InChIKey is WCZUOJVHIDLUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H35Cl2N5O2/c1-22-8-4-10-24-20-28-30(38)14-12-26(34(28)42-32(22)24)36(45)40-16-6-18-44(3)19-7-17-41-37(46)27-13-15-31(39)29-21-25-11-5-9-23(2)33(25)43-35(27)29/h4-5,8-15,20-21H,6-7,16-19H2,1-3H3,(H,40,45)(H,41,46).
What are the key properties of 1-chloro-N-[3-[3-[(1-chloro-5-methylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5-methylacridine-4-carboxamide?
1-chloro-N-[3-[3-[(1-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 1-chloro-N-[3-[3-[(1-chloro-5-methylacridine-4-carbonyl)amino]propyl-methylamino]propyl]-5-methylacridine-4-carboxamide is sourced from PubChem (CID 10794345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).