1,2-dichloro-6-[2-(dibutylamino)ethoxy]-10H-acridin-9-one

C23H28Cl2N2O2 — CID 155525807

IUPAC1,2-dichloro-6-[2-(dibutylamino)ethoxy]-10H-acridin-9-one
SMILESCCCCN(CCCC)CCOc1ccc2c(=O)c3c(Cl)c(Cl)ccc3[nH]c2c1
InChIInChI=1S/C23H28Cl2N2O2/c1-3-5-11-27(12-6-4-2)13-14-29-16-7-8-17-20(15-16)26-19-10-9-18(24)22(25)21(19)23(17)28/h7-10,15H,3-6,11-14H2,1-2H3,(H,26,28)
InChIKeyZYMYGWAOBBJDMQ-UHFFFAOYSA-N
MW435.40 g/mol
LogP6.27
Rot. Bonds10

About 1,2-dichloro-6-[2-(dibutylamino)ethoxy]-10H-acridin-9-one

1,2-dichloro-6-[2-(dibutylamino)ethoxy]-10H-acridin-9-one (PubChem CID 155525807) has the molecular formula C23H28Cl2N2O2 and a molecular weight of 435.40 g/mol. Its IUPAC name is 1,2-dichloro-6-[2-(dibutylamino)ethoxy]-10H-acridin-9-one.

Molecular Properties

Compound Name1,2-dichloro-6-[2-(dibutylamino)ethoxy]-10H-acridin-9-one
PubChem CID155525807
Molecular FormulaC23H28Cl2N2O2
Molecular Weight435.40 g/mol
Exact Mass434.15
IUPAC Name1,2-dichloro-6-[2-(dibutylamino)ethoxy]-10H-acridin-9-one
SMILESCCCCN(CCCC)CCOc1ccc2c(=O)c3c(Cl)c(Cl)ccc3[nH]c2c1
InChIInChI=1S/C23H28Cl2N2O2/c1-3-5-11-27(12-6-4-2)13-14-29-16-7-8-17-20(15-16)26-19-10-9-18(24)22(25)21(19)23(17)28/h7-10,15H,3-6,11-14H2,1-2H3,(H,26,28)
InChIKeyZYMYGWAOBBJDMQ-UHFFFAOYSA-N
XLogP6.27
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.40
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-6-[2-(dibutylamino)ethoxy]-10H-acridin-9-one?
The IUPAC name of 1,2-dichloro-6-[2-(dibutylamino)ethoxy]-10H-acridin-9-one (CID 155525807) is 1,2-dichloro-6-[2-(dibutylamino)ethoxy]-10H-acridin-9-one.
What is the SMILES notation for 1,2-dichloro-6-[2-(dibutylamino)ethoxy]-10H-acridin-9-one?
The canonical SMILES for 1,2-dichloro-6-[2-(dibutylamino)ethoxy]-10H-acridin-9-one is CCCCN(CCCC)CCOc1ccc2c(=O)c3c(Cl)c(Cl)ccc3[nH]c2c1.
What is the InChIKey of 1,2-dichloro-6-[2-(dibutylamino)ethoxy]-10H-acridin-9-one?
The InChIKey is ZYMYGWAOBBJDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O2/c1-3-5-11-27(12-6-4-2)13-14-29-16-7-8-17-20(15-16)26-19-10-9-18(24)22(25)21(19)23(17)28/h7-10,15H,3-6,11-14H2,1-2H3,(H,26,28).
What are the key properties of 1,2-dichloro-6-[2-(dibutylamino)ethoxy]-10H-acridin-9-one?
1,2-dichloro-6-[2-(dibutylamino)ethoxy]-10H-acridin-9-one has a molecular weight of 435.40 g/mol, XLogP of 6.27, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-6-[2-(dibutylamino)ethoxy]-10H-acridin-9-one is sourced from PubChem (CID 155525807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).