10-methyl-2,7-bis[2-(1,4,7,10-tetraoxacyclododec-2-ylmethoxy)ethoxy]acridin-9-one

C36H51NO13 — CID 101262828

IUPAC10-methyl-2,7-bis[2-(1,4,7,10-tetraoxacyclododec-2-ylmethoxy)ethoxy]acridin-9-one
SMILESCn1c2ccc(OCCOCC3COCCOCCOCCO3)cc2c(=O)c2cc(OCCOCC3COCCOCCOCCO3)ccc21
InChIInChI=1S/C36H51NO13/c1-37-34-4-2-28(47-20-16-45-26-30-24-43-12-10-39-6-8-41-14-18-49-30)22-32(34)36(38)33-23-29(3-5-35(33)37)48-21-17-46-27-31-25-44-13-11-40-7-9-42-15-19-50-31/h2-5,22-23,30-31H,6-21,24-27H2,1H3
InChIKeyYFQASETVFPCLDR-UHFFFAOYSA-N
MW705.80 g/mol
LogP2.38
Rot. Bonds12

About 10-methyl-2,7-bis[2-(1,4,7,10-tetraoxacyclododec-2-ylmethoxy)ethoxy]acridin-9-one

10-methyl-2,7-bis[2-(1,4,7,10-tetraoxacyclododec-2-ylmethoxy)ethoxy]acridin-9-one (PubChem CID 101262828) has the molecular formula C36H51NO13 and a molecular weight of 705.80 g/mol. Its IUPAC name is 10-methyl-2,7-bis[2-(1,4,7,10-tetraoxacyclododec-2-ylmethoxy)ethoxy]acridin-9-one.

Molecular Properties

Compound Name10-methyl-2,7-bis[2-(1,4,7,10-tetraoxacyclododec-2-ylmethoxy)ethoxy]acridin-9-one
PubChem CID101262828
Molecular FormulaC36H51NO13
Molecular Weight705.80 g/mol
Exact Mass705.34
IUPAC Name10-methyl-2,7-bis[2-(1,4,7,10-tetraoxacyclododec-2-ylmethoxy)ethoxy]acridin-9-one
SMILESCn1c2ccc(OCCOCC3COCCOCCOCCO3)cc2c(=O)c2cc(OCCOCC3COCCOCCOCCO3)ccc21
InChIInChI=1S/C36H51NO13/c1-37-34-4-2-28(47-20-16-45-26-30-24-43-12-10-39-6-8-41-14-18-49-30)22-32(34)36(38)33-23-29(3-5-35(33)37)48-21-17-46-27-31-25-44-13-11-40-7-9-42-15-19-50-31/h2-5,22-23,30-31H,6-21,24-27H2,1H3
InChIKeyYFQASETVFPCLDR-UHFFFAOYSA-N
XLogP2.38
TPSA132.76 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds12
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500705.80
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 10-methyl-2,7-bis[2-(1,4,7,10-tetraoxacyclododec-2-ylmethoxy)ethoxy]acridin-9-one 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 10-methyl-2,7-bis[2-(1,4,7,10-tetraoxacyclododec-2-ylmethoxy)ethoxy]acridin-9-one?
The IUPAC name of 10-methyl-2,7-bis[2-(1,4,7,10-tetraoxacyclododec-2-ylmethoxy)ethoxy]acridin-9-one (CID 101262828) is 10-methyl-2,7-bis[2-(1,4,7,10-tetraoxacyclododec-2-ylmethoxy)ethoxy]acridin-9-one.
What is the SMILES notation for 10-methyl-2,7-bis[2-(1,4,7,10-tetraoxacyclododec-2-ylmethoxy)ethoxy]acridin-9-one?
The canonical SMILES for 10-methyl-2,7-bis[2-(1,4,7,10-tetraoxacyclododec-2-ylmethoxy)ethoxy]acridin-9-one is Cn1c2ccc(OCCOCC3COCCOCCOCCO3)cc2c(=O)c2cc(OCCOCC3COCCOCCOCCO3)ccc21.
What is the InChIKey of 10-methyl-2,7-bis[2-(1,4,7,10-tetraoxacyclododec-2-ylmethoxy)ethoxy]acridin-9-one?
The InChIKey is YFQASETVFPCLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H51NO13/c1-37-34-4-2-28(47-20-16-45-26-30-24-43-12-10-39-6-8-41-14-18-49-30)22-32(34)36(38)33-23-29(3-5-35(33)37)48-21-17-46-27-31-25-44-13-11-40-7-9-42-15-19-50-31/h2-5,22-23,30-31H,6-21,24-27H2,1H3.
What are the key properties of 10-methyl-2,7-bis[2-(1,4,7,10-tetraoxacyclododec-2-ylmethoxy)ethoxy]acridin-9-one?
10-methyl-2,7-bis[2-(1,4,7,10-tetraoxacyclododec-2-ylmethoxy)ethoxy]acridin-9-one has a molecular weight of 705.80 g/mol, XLogP of 2.38, 12 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-2,7-bis[2-(1,4,7,10-tetraoxacyclododec-2-ylmethoxy)ethoxy]acridin-9-one is sourced from PubChem (CID 101262828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).