6-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one

C21H24F2N2O2 — CID 155511816

IUPAC6-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one
SMILESCCCN(CCC)CCOc1ccc2c(=O)c3c(F)cc(F)cc3[nH]c2c1
InChIInChI=1S/C21H24F2N2O2/c1-3-7-25(8-4-2)9-10-27-15-5-6-16-18(13-15)24-19-12-14(22)11-17(23)20(19)21(16)26/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,24,26)
InChIKeyIVNXRXDHSGRMAO-UHFFFAOYSA-N
MW374.43 g/mol
LogP4.46
Rot. Bonds8

About 6-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one

6-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one (PubChem CID 155511816) has the molecular formula C21H24F2N2O2 and a molecular weight of 374.43 g/mol. Its IUPAC name is 6-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one.

Molecular Properties

Compound Name6-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one
PubChem CID155511816
Molecular FormulaC21H24F2N2O2
Molecular Weight374.43 g/mol
Exact Mass374.18
IUPAC Name6-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one
SMILESCCCN(CCC)CCOc1ccc2c(=O)c3c(F)cc(F)cc3[nH]c2c1
InChIInChI=1S/C21H24F2N2O2/c1-3-7-25(8-4-2)9-10-27-15-5-6-16-18(13-15)24-19-12-14(22)11-17(23)20(19)21(16)26/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,24,26)
InChIKeyIVNXRXDHSGRMAO-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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Related Compounds

7-Methoxy-1-methyl-2-phenyl-4(1H)-quinolinone
CID 253834
7-Methoxy-2-phenyl-quinolin-4-ol
CID 289743
N-(2-{4-[2-(dimethylamino)ethoxy]phenyl}propan-2-yl)-2-fluoro-9-oxo-9,10-dihydroacridine-3-carboxamide
CID 16748526
6-butyl-3-ethyl-2-methyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one
CID 56925542
6-fluoro-7-methoxy-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-quinolin-4-one
CID 86573311
6-butyl-3-ethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one
CID 140877895
methyl 4-oxo-7-(3-phenylpropoxy)-1H-quinoline-3-carboxylate
CID 140877936
4-Methoxy-N-[2-(morpholine-4-carbonyl)-phenyl]-benzamide
CID 727270
3-Heptyl-4-hydroxy-7-methoxy-2-methylquinoline
CID 100474
1,2-dichloro-6-[2-(dipropylamino)ethoxy]-10H-acridin-9-one
CID 155525743
1,2-dichloro-6-[2-(dibutylamino)ethoxy]-10H-acridin-9-one
CID 155525807
3-[2-(dipropylamino)ethoxy]-6-(trifluoromethyl)-10H-acridin-9-one
CID 155526745

Frequently Asked Questions

What is the IUPAC name of 6-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one?
The IUPAC name of 6-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one (CID 155511816) is 6-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one.
What is the SMILES notation for 6-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one?
The canonical SMILES for 6-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one is CCCN(CCC)CCOc1ccc2c(=O)c3c(F)cc(F)cc3[nH]c2c1.
What is the InChIKey of 6-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one?
The InChIKey is IVNXRXDHSGRMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O2/c1-3-7-25(8-4-2)9-10-27-15-5-6-16-18(13-15)24-19-12-14(22)11-17(23)20(19)21(16)26/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,24,26).
What are the key properties of 6-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one?
6-[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 6-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one is sourced from PubChem (CID 155511816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).