7-methoxy-N-[3-[3-[(7-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide

C37H37N5O4 — CID 10555793

IUPAC7-methoxy-N-[3-[3-[(7-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide
SMILESCOc1ccc2nc3c(C(=O)NCCCN(C)CCCNC(=O)c4cccc5cc6cc(OC)ccc6nc45)cccc3cc2c1
InChIInChI=1S/C37H37N5O4/c1-42(18-6-16-38-36(43)30-10-4-8-24-20-26-22-28(45-2)12-14-32(26)40-34(24)30)19-7-17-39-37(44)31-11-5-9-25-21-27-23-29(46-3)13-15-33(27)41-35(25)31/h4-5,8-15,20-23H,6-7,16-19H2,1-3H3,(H,38,43)(H,39,44)
InChIKeyIDAABOJVLATCFQ-UHFFFAOYSA-N
MW615.73 g/mol
LogP5.98
Rot. Bonds12

About 7-methoxy-N-[3-[3-[(7-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide

7-methoxy-N-[3-[3-[(7-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide (PubChem CID 10555793) has the molecular formula C37H37N5O4 and a molecular weight of 615.73 g/mol. Its IUPAC name is 7-methoxy-N-[3-[3-[(7-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[3-[3-[(7-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide
PubChem CID10555793
Molecular FormulaC37H37N5O4
Molecular Weight615.73 g/mol
Exact Mass615.28
IUPAC Name7-methoxy-N-[3-[3-[(7-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide
SMILESCOc1ccc2nc3c(C(=O)NCCCN(C)CCCNC(=O)c4cccc5cc6cc(OC)ccc6nc45)cccc3cc2c1
InChIInChI=1S/C37H37N5O4/c1-42(18-6-16-38-36(43)30-10-4-8-24-20-26-22-28(45-2)12-14-32(26)40-34(24)30)19-7-17-39-37(44)31-11-5-9-25-21-27-23-29(46-3)13-15-33(27)41-35(25)31/h4-5,8-15,20-23H,6-7,16-19H2,1-3H3,(H,38,43)(H,39,44)
InChIKeyIDAABOJVLATCFQ-UHFFFAOYSA-N
XLogP5.98
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.73
LogP ≤ 55.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 7-methoxy-N-[3-[3-[(7-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]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 7-methoxy-N-[3-[3-[(7-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide?
The IUPAC name of 7-methoxy-N-[3-[3-[(7-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide (CID 10555793) is 7-methoxy-N-[3-[3-[(7-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide.
What is the SMILES notation for 7-methoxy-N-[3-[3-[(7-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide?
The canonical SMILES for 7-methoxy-N-[3-[3-[(7-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide is COc1ccc2nc3c(C(=O)NCCCN(C)CCCNC(=O)c4cccc5cc6cc(OC)ccc6nc45)cccc3cc2c1.
What is the InChIKey of 7-methoxy-N-[3-[3-[(7-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide?
The InChIKey is IDAABOJVLATCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H37N5O4/c1-42(18-6-16-38-36(43)30-10-4-8-24-20-26-22-28(45-2)12-14-32(26)40-34(24)30)19-7-17-39-37(44)31-11-5-9-25-21-27-23-29(46-3)13-15-33(27)41-35(25)31/h4-5,8-15,20-23H,6-7,16-19H2,1-3H3,(H,38,43)(H,39,44).
What are the key properties of 7-methoxy-N-[3-[3-[(7-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide?
7-methoxy-N-[3-[3-[(7-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide has a molecular weight of 615.73 g/mol, XLogP of 5.98, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[3-[3-[(7-methoxyacridine-4-carbonyl)amino]propyl-methylamino]propyl]acridine-4-carboxamide is sourced from PubChem (CID 10555793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).