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

C22H26F2N2O2 — CID 155546445

IUPAC6-[3-(dipropylamino)propoxy]-1,3-difluoro-10H-acridin-9-one
SMILESCCCN(CCC)CCCOc1ccc2c(=O)c3c(F)cc(F)cc3[nH]c2c1
InChIInChI=1S/C22H26F2N2O2/c1-3-8-26(9-4-2)10-5-11-28-16-6-7-17-19(14-16)25-20-13-15(23)12-18(24)21(20)22(17)27/h6-7,12-14H,3-5,8-11H2,1-2H3,(H,25,27)
InChIKeyYGVVLEXGNBMTNX-UHFFFAOYSA-N
MW388.46 g/mol
LogP4.85
Rot. Bonds9

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

6-[3-(dipropylamino)propoxy]-1,3-difluoro-10H-acridin-9-one (PubChem CID 155546445) has the molecular formula C22H26F2N2O2 and a molecular weight of 388.46 g/mol. Its IUPAC name is 6-[3-(dipropylamino)propoxy]-1,3-difluoro-10H-acridin-9-one.

Molecular Properties

Compound Name6-[3-(dipropylamino)propoxy]-1,3-difluoro-10H-acridin-9-one
PubChem CID155546445
Molecular FormulaC22H26F2N2O2
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Name6-[3-(dipropylamino)propoxy]-1,3-difluoro-10H-acridin-9-one
SMILESCCCN(CCC)CCCOc1ccc2c(=O)c3c(F)cc(F)cc3[nH]c2c1
InChIInChI=1S/C22H26F2N2O2/c1-3-8-26(9-4-2)10-5-11-28-16-6-7-17-19(14-16)25-20-13-15(23)12-18(24)21(20)22(17)27/h6-7,12-14H,3-5,8-11H2,1-2H3,(H,25,27)
InChIKeyYGVVLEXGNBMTNX-UHFFFAOYSA-N
XLogP4.85
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-[3-(dipropylamino)propoxy]-1,3-difluoro-10H-acridin-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Encainide
CID 48041
Acronycine
CID 345512
7-Methoxy-1-methyl-2-phenyl-4(1H)-quinolinone
CID 253834
3-(2,3-Dihydro-1,4-benzodioxin-6-ylamino)-1-(4-methoxyphenyl)-1-propanone
CID 766936
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
2-[[3-(2-Phenylethoxy)phenyl]amino]benzamide
CID 56935695
6-butyl-3-ethyl-2-methyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one
CID 56925542
6-butyl-3-iodo-2-methyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one
CID 56925756
6-fluoro-7-methoxy-2-methyl-3-[4-[4-(trifluoromethoxy)phenoxy]phenyl]-1H-quinolin-4-one
CID 86573311
methyl 4-oxo-7-(2-phenoxyethoxy)-1H-quinoline-3-carboxylate
CID 140877893
6-butyl-3-ethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one
CID 140877895

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dipropylamino)propoxy]-1,3-difluoro-10H-acridin-9-one?
The IUPAC name of 6-[3-(dipropylamino)propoxy]-1,3-difluoro-10H-acridin-9-one (CID 155546445) is 6-[3-(dipropylamino)propoxy]-1,3-difluoro-10H-acridin-9-one.
What is the SMILES notation for 6-[3-(dipropylamino)propoxy]-1,3-difluoro-10H-acridin-9-one?
The canonical SMILES for 6-[3-(dipropylamino)propoxy]-1,3-difluoro-10H-acridin-9-one is CCCN(CCC)CCCOc1ccc2c(=O)c3c(F)cc(F)cc3[nH]c2c1.
What is the InChIKey of 6-[3-(dipropylamino)propoxy]-1,3-difluoro-10H-acridin-9-one?
The InChIKey is YGVVLEXGNBMTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F2N2O2/c1-3-8-26(9-4-2)10-5-11-28-16-6-7-17-19(14-16)25-20-13-15(23)12-18(24)21(20)22(17)27/h6-7,12-14H,3-5,8-11H2,1-2H3,(H,25,27).
What are the key properties of 6-[3-(dipropylamino)propoxy]-1,3-difluoro-10H-acridin-9-one?
6-[3-(dipropylamino)propoxy]-1,3-difluoro-10H-acridin-9-one has a molecular weight of 388.46 g/mol, XLogP of 4.85, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dipropylamino)propoxy]-1,3-difluoro-10H-acridin-9-one is sourced from PubChem (CID 155546445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).