6-chloro-N-[2-[2-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethoxy]ethoxy]ethyl]-2-methoxyacridin-9-amine

C34H32Cl2N4O4 — CID 10371845

IUPAC6-chloro-N-[2-[2-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethoxy]ethoxy]ethyl]-2-methoxyacridin-9-amine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(NCCOCCOCCNc3c4ccc(Cl)cc4nc4ccc(OC)cc34)c2c1
InChIInChI=1S/C34H32Cl2N4O4/c1-41-23-5-9-29-27(19-23)33(25-7-3-21(35)17-31(25)39-29)37-11-13-43-15-16-44-14-12-38-34-26-8-4-22(36)18-32(26)40-30-10-6-24(42-2)20-28(30)34/h3-10,17-20H,11-16H2,1-2H3,(H,37,39)(H,38,40)
InChIKeyFZDDLKNOSWOGAY-UHFFFAOYSA-N
MW631.56 g/mol
LogP7.97
Rot. Bonds13

About 6-chloro-N-[2-[2-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethoxy]ethoxy]ethyl]-2-methoxyacridin-9-amine

6-chloro-N-[2-[2-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethoxy]ethoxy]ethyl]-2-methoxyacridin-9-amine (PubChem CID 10371845) has the molecular formula C34H32Cl2N4O4 and a molecular weight of 631.56 g/mol. Its IUPAC name is 6-chloro-N-[2-[2-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethoxy]ethoxy]ethyl]-2-methoxyacridin-9-amine.

Molecular Properties

Compound Name6-chloro-N-[2-[2-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethoxy]ethoxy]ethyl]-2-methoxyacridin-9-amine
PubChem CID10371845
Molecular FormulaC34H32Cl2N4O4
Molecular Weight631.56 g/mol
Exact Mass630.18
IUPAC Name6-chloro-N-[2-[2-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethoxy]ethoxy]ethyl]-2-methoxyacridin-9-amine
SMILESCOc1ccc2nc3cc(Cl)ccc3c(NCCOCCOCCNc3c4ccc(Cl)cc4nc4ccc(OC)cc34)c2c1
InChIInChI=1S/C34H32Cl2N4O4/c1-41-23-5-9-29-27(19-23)33(25-7-3-21(35)17-31(25)39-29)37-11-13-43-15-16-44-14-12-38-34-26-8-4-22(36)18-32(26)40-30-10-6-24(42-2)20-28(30)34/h3-10,17-20H,11-16H2,1-2H3,(H,37,39)(H,38,40)
InChIKeyFZDDLKNOSWOGAY-UHFFFAOYSA-N
XLogP7.97
TPSA86.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500631.56
LogP ≤ 57.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 6-chloro-N-[2-[2-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethoxy]ethoxy]ethyl]-2-methoxyacridin-9-amine?
The IUPAC name of 6-chloro-N-[2-[2-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethoxy]ethoxy]ethyl]-2-methoxyacridin-9-amine (CID 10371845) is 6-chloro-N-[2-[2-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethoxy]ethoxy]ethyl]-2-methoxyacridin-9-amine.
What is the SMILES notation for 6-chloro-N-[2-[2-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethoxy]ethoxy]ethyl]-2-methoxyacridin-9-amine?
The canonical SMILES for 6-chloro-N-[2-[2-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethoxy]ethoxy]ethyl]-2-methoxyacridin-9-amine is COc1ccc2nc3cc(Cl)ccc3c(NCCOCCOCCNc3c4ccc(Cl)cc4nc4ccc(OC)cc34)c2c1.
What is the InChIKey of 6-chloro-N-[2-[2-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethoxy]ethoxy]ethyl]-2-methoxyacridin-9-amine?
The InChIKey is FZDDLKNOSWOGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32Cl2N4O4/c1-41-23-5-9-29-27(19-23)33(25-7-3-21(35)17-31(25)39-29)37-11-13-43-15-16-44-14-12-38-34-26-8-4-22(36)18-32(26)40-30-10-6-24(42-2)20-28(30)34/h3-10,17-20H,11-16H2,1-2H3,(H,37,39)(H,38,40).
What are the key properties of 6-chloro-N-[2-[2-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethoxy]ethoxy]ethyl]-2-methoxyacridin-9-amine?
6-chloro-N-[2-[2-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethoxy]ethoxy]ethyl]-2-methoxyacridin-9-amine has a molecular weight of 631.56 g/mol, XLogP of 7.97, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[2-[2-[2-[(6-chloro-2-methoxyacridin-9-yl)amino]ethoxy]ethoxy]ethyl]-2-methoxyacridin-9-amine is sourced from PubChem (CID 10371845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).