2,7-bis[2-(dipropylamino)ethoxy]-10H-acridin-9-one

C29H43N3O3 — CID 57439654

IUPAC2,7-bis[2-(dipropylamino)ethoxy]-10H-acridin-9-one
SMILESCCCN(CCC)CCOc1ccc2[nH]c3ccc(OCCN(CCC)CCC)cc3c(=O)c2c1
InChIInChI=1S/C29H43N3O3/c1-5-13-31(14-6-2)17-19-34-23-9-11-27-25(21-23)29(33)26-22-24(10-12-28(26)30-27)35-20-18-32(15-7-3)16-8-4/h9-12,21-22H,5-8,13-20H2,1-4H3,(H,30,33)
InChIKeyCQYYJPJILMCMGS-UHFFFAOYSA-N
MW481.68 g/mol
LogP5.68
Rot. Bonds16

About 2,7-bis[2-(dipropylamino)ethoxy]-10H-acridin-9-one

2,7-bis[2-(dipropylamino)ethoxy]-10H-acridin-9-one (PubChem CID 57439654) has the molecular formula C29H43N3O3 and a molecular weight of 481.68 g/mol. Its IUPAC name is 2,7-bis[2-(dipropylamino)ethoxy]-10H-acridin-9-one.

Molecular Properties

Compound Name2,7-bis[2-(dipropylamino)ethoxy]-10H-acridin-9-one
PubChem CID57439654
Molecular FormulaC29H43N3O3
Molecular Weight481.68 g/mol
Exact Mass481.33
IUPAC Name2,7-bis[2-(dipropylamino)ethoxy]-10H-acridin-9-one
SMILESCCCN(CCC)CCOc1ccc2[nH]c3ccc(OCCN(CCC)CCC)cc3c(=O)c2c1
InChIInChI=1S/C29H43N3O3/c1-5-13-31(14-6-2)17-19-34-23-9-11-27-25(21-23)29(33)26-22-24(10-12-28(26)30-27)35-20-18-32(15-7-3)16-8-4/h9-12,21-22H,5-8,13-20H2,1-4H3,(H,30,33)
InChIKeyCQYYJPJILMCMGS-UHFFFAOYSA-N
XLogP5.68
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.68
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2,7-bis[2-(dipropylamino)ethoxy]-10H-acridin-9-one?
The IUPAC name of 2,7-bis[2-(dipropylamino)ethoxy]-10H-acridin-9-one (CID 57439654) is 2,7-bis[2-(dipropylamino)ethoxy]-10H-acridin-9-one.
What is the SMILES notation for 2,7-bis[2-(dipropylamino)ethoxy]-10H-acridin-9-one?
The canonical SMILES for 2,7-bis[2-(dipropylamino)ethoxy]-10H-acridin-9-one is CCCN(CCC)CCOc1ccc2[nH]c3ccc(OCCN(CCC)CCC)cc3c(=O)c2c1.
What is the InChIKey of 2,7-bis[2-(dipropylamino)ethoxy]-10H-acridin-9-one?
The InChIKey is CQYYJPJILMCMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H43N3O3/c1-5-13-31(14-6-2)17-19-34-23-9-11-27-25(21-23)29(33)26-22-24(10-12-28(26)30-27)35-20-18-32(15-7-3)16-8-4/h9-12,21-22H,5-8,13-20H2,1-4H3,(H,30,33).
What are the key properties of 2,7-bis[2-(dipropylamino)ethoxy]-10H-acridin-9-one?
2,7-bis[2-(dipropylamino)ethoxy]-10H-acridin-9-one has a molecular weight of 481.68 g/mol, XLogP of 5.68, 16 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis[2-(dipropylamino)ethoxy]-10H-acridin-9-one is sourced from PubChem (CID 57439654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).