7-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one

C21H24F2N2O2 — CID 155538887

IUPAC7-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one
SMILESCCCN(CCC)CCOc1ccc2[nH]c3cc(F)cc(F)c3c(=O)c2c1
InChIInChI=1S/C21H24F2N2O2/c1-3-7-25(8-4-2)9-10-27-15-5-6-18-16(13-15)21(26)20-17(23)11-14(22)12-19(20)24-18/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,24,26)
InChIKeyAJYIYTGUUARWHV-UHFFFAOYSA-N
MW374.43 g/mol
LogP4.46
Rot. Bonds8

About 7-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one

7-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one (PubChem CID 155538887) has the molecular formula C21H24F2N2O2 and a molecular weight of 374.43 g/mol. Its IUPAC name is 7-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one.

Molecular Properties

Compound Name7-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one
PubChem CID155538887
Molecular FormulaC21H24F2N2O2
Molecular Weight374.43 g/mol
Exact Mass374.18
IUPAC Name7-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one
SMILESCCCN(CCC)CCOc1ccc2[nH]c3cc(F)cc(F)c3c(=O)c2c1
InChIInChI=1S/C21H24F2N2O2/c1-3-7-25(8-4-2)9-10-27-15-5-6-18-16(13-15)21(26)20-17(23)11-14(22)12-19(20)24-18/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,24,26)
InChIKeyAJYIYTGUUARWHV-UHFFFAOYSA-N
XLogP4.46
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.43
LogP ≤ 54.46
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 7-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one?
The IUPAC name of 7-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one (CID 155538887) is 7-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one.
What is the SMILES notation for 7-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one?
The canonical SMILES for 7-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one is CCCN(CCC)CCOc1ccc2[nH]c3cc(F)cc(F)c3c(=O)c2c1.
What is the InChIKey of 7-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one?
The InChIKey is AJYIYTGUUARWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O2/c1-3-7-25(8-4-2)9-10-27-15-5-6-18-16(13-15)21(26)20-17(23)11-14(22)12-19(20)24-18/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,24,26).
What are the key properties of 7-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one?
7-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one has a molecular weight of 374.43 g/mol, XLogP of 4.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one is sourced from PubChem (CID 155538887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).