3-[2-(dipropylamino)ethoxy]-6-(trifluoromethyl)-10H-acridin-9-one

C22H25F3N2O2 — CID 155526745

IUPAC3-[2-(dipropylamino)ethoxy]-6-(trifluoromethyl)-10H-acridin-9-one
SMILESCCCN(CCC)CCOc1ccc2c(=O)c3ccc(C(F)(F)F)cc3[nH]c2c1
InChIInChI=1S/C22H25F3N2O2/c1-3-9-27(10-4-2)11-12-29-16-6-8-18-20(14-16)26-19-13-15(22(23,24)25)5-7-17(19)21(18)28/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,26,28)
InChIKeyFDVDUPWIVUYSSR-UHFFFAOYSA-N
MW406.45 g/mol
LogP5.20
Rot. Bonds8

About 3-[2-(dipropylamino)ethoxy]-6-(trifluoromethyl)-10H-acridin-9-one

3-[2-(dipropylamino)ethoxy]-6-(trifluoromethyl)-10H-acridin-9-one (PubChem CID 155526745) has the molecular formula C22H25F3N2O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 3-[2-(dipropylamino)ethoxy]-6-(trifluoromethyl)-10H-acridin-9-one.

Molecular Properties

Compound Name3-[2-(dipropylamino)ethoxy]-6-(trifluoromethyl)-10H-acridin-9-one
PubChem CID155526745
Molecular FormulaC22H25F3N2O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Name3-[2-(dipropylamino)ethoxy]-6-(trifluoromethyl)-10H-acridin-9-one
SMILESCCCN(CCC)CCOc1ccc2c(=O)c3ccc(C(F)(F)F)cc3[nH]c2c1
InChIInChI=1S/C22H25F3N2O2/c1-3-9-27(10-4-2)11-12-29-16-6-8-18-20(14-16)26-19-13-15(22(23,24)25)5-7-17(19)21(18)28/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,26,28)
InChIKeyFDVDUPWIVUYSSR-UHFFFAOYSA-N
XLogP5.20
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.45
LogP ≤ 55.20
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 3-[2-(dipropylamino)ethoxy]-6-(trifluoromethyl)-10H-acridin-9-one?
The IUPAC name of 3-[2-(dipropylamino)ethoxy]-6-(trifluoromethyl)-10H-acridin-9-one (CID 155526745) is 3-[2-(dipropylamino)ethoxy]-6-(trifluoromethyl)-10H-acridin-9-one.
What is the SMILES notation for 3-[2-(dipropylamino)ethoxy]-6-(trifluoromethyl)-10H-acridin-9-one?
The canonical SMILES for 3-[2-(dipropylamino)ethoxy]-6-(trifluoromethyl)-10H-acridin-9-one is CCCN(CCC)CCOc1ccc2c(=O)c3ccc(C(F)(F)F)cc3[nH]c2c1.
What is the InChIKey of 3-[2-(dipropylamino)ethoxy]-6-(trifluoromethyl)-10H-acridin-9-one?
The InChIKey is FDVDUPWIVUYSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O2/c1-3-9-27(10-4-2)11-12-29-16-6-8-18-20(14-16)26-19-13-15(22(23,24)25)5-7-17(19)21(18)28/h5-8,13-14H,3-4,9-12H2,1-2H3,(H,26,28).
What are the key properties of 3-[2-(dipropylamino)ethoxy]-6-(trifluoromethyl)-10H-acridin-9-one?
3-[2-(dipropylamino)ethoxy]-6-(trifluoromethyl)-10H-acridin-9-one has a molecular weight of 406.45 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dipropylamino)ethoxy]-6-(trifluoromethyl)-10H-acridin-9-one is sourced from PubChem (CID 155526745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).