2-methyl-N-[2-[2-[2-[(2-methylacridin-9-yl)amino]ethoxy]ethoxy]ethyl]acridin-9-amine

C34H34N4O2 — CID 162649093

IUPAC2-methyl-N-[2-[2-[2-[(2-methylacridin-9-yl)amino]ethoxy]ethoxy]ethyl]acridin-9-amine
SMILESCc1ccc2nc3ccccc3c(NCCOCCOCCNc3c4ccccc4nc4ccc(C)cc34)c2c1
InChIInChI=1S/C34H34N4O2/c1-23-11-13-31-27(21-23)33(25-7-3-5-9-29(25)37-31)35-15-17-39-19-20-40-18-16-36-34-26-8-4-6-10-30(26)38-32-14-12-24(2)22-28(32)34/h3-14,21-22H,15-20H2,1-2H3,(H,35,37)(H,36,38)
InChIKeyRLNPWTBCPORJEX-UHFFFAOYSA-N
MW530.67 g/mol
LogP7.26
Rot. Bonds11

About 2-methyl-N-[2-[2-[2-[(2-methylacridin-9-yl)amino]ethoxy]ethoxy]ethyl]acridin-9-amine

2-methyl-N-[2-[2-[2-[(2-methylacridin-9-yl)amino]ethoxy]ethoxy]ethyl]acridin-9-amine (PubChem CID 162649093) has the molecular formula C34H34N4O2 and a molecular weight of 530.67 g/mol. Its IUPAC name is 2-methyl-N-[2-[2-[2-[(2-methylacridin-9-yl)amino]ethoxy]ethoxy]ethyl]acridin-9-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[2-[2-[(2-methylacridin-9-yl)amino]ethoxy]ethoxy]ethyl]acridin-9-amine
PubChem CID162649093
Molecular FormulaC34H34N4O2
Molecular Weight530.67 g/mol
Exact Mass530.27
IUPAC Name2-methyl-N-[2-[2-[2-[(2-methylacridin-9-yl)amino]ethoxy]ethoxy]ethyl]acridin-9-amine
SMILESCc1ccc2nc3ccccc3c(NCCOCCOCCNc3c4ccccc4nc4ccc(C)cc34)c2c1
InChIInChI=1S/C34H34N4O2/c1-23-11-13-31-27(21-23)33(25-7-3-5-9-29(25)37-31)35-15-17-39-19-20-40-18-16-36-34-26-8-4-6-10-30(26)38-32-14-12-24(2)22-28(32)34/h3-14,21-22H,15-20H2,1-2H3,(H,35,37)(H,36,38)
InChIKeyRLNPWTBCPORJEX-UHFFFAOYSA-N
XLogP7.26
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.67
LogP ≤ 57.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[2-[2-[(2-methylacridin-9-yl)amino]ethoxy]ethoxy]ethyl]acridin-9-amine?
The IUPAC name of 2-methyl-N-[2-[2-[2-[(2-methylacridin-9-yl)amino]ethoxy]ethoxy]ethyl]acridin-9-amine (CID 162649093) is 2-methyl-N-[2-[2-[2-[(2-methylacridin-9-yl)amino]ethoxy]ethoxy]ethyl]acridin-9-amine.
What is the SMILES notation for 2-methyl-N-[2-[2-[2-[(2-methylacridin-9-yl)amino]ethoxy]ethoxy]ethyl]acridin-9-amine?
The canonical SMILES for 2-methyl-N-[2-[2-[2-[(2-methylacridin-9-yl)amino]ethoxy]ethoxy]ethyl]acridin-9-amine is Cc1ccc2nc3ccccc3c(NCCOCCOCCNc3c4ccccc4nc4ccc(C)cc34)c2c1.
What is the InChIKey of 2-methyl-N-[2-[2-[2-[(2-methylacridin-9-yl)amino]ethoxy]ethoxy]ethyl]acridin-9-amine?
The InChIKey is RLNPWTBCPORJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34N4O2/c1-23-11-13-31-27(21-23)33(25-7-3-5-9-29(25)37-31)35-15-17-39-19-20-40-18-16-36-34-26-8-4-6-10-30(26)38-32-14-12-24(2)22-28(32)34/h3-14,21-22H,15-20H2,1-2H3,(H,35,37)(H,36,38).
What are the key properties of 2-methyl-N-[2-[2-[2-[(2-methylacridin-9-yl)amino]ethoxy]ethoxy]ethyl]acridin-9-amine?
2-methyl-N-[2-[2-[2-[(2-methylacridin-9-yl)amino]ethoxy]ethoxy]ethyl]acridin-9-amine has a molecular weight of 530.67 g/mol, XLogP of 7.26, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[2-[2-[(2-methylacridin-9-yl)amino]ethoxy]ethoxy]ethyl]acridin-9-amine is sourced from PubChem (CID 162649093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).