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

C20H22F2N2O2 — CID 155524049

IUPAC6-[3-(diethylamino)propoxy]-1,3-difluoro-10H-acridin-9-one
SMILESCCN(CC)CCCOc1ccc2c(=O)c3c(F)cc(F)cc3[nH]c2c1
InChIInChI=1S/C20H22F2N2O2/c1-3-24(4-2)8-5-9-26-14-6-7-15-17(12-14)23-18-11-13(21)10-16(22)19(18)20(15)25/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,23,25)
InChIKeySBYLVYVHCBSERJ-UHFFFAOYSA-N
MW360.40 g/mol
LogP4.07
Rot. Bonds7

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

6-[3-(diethylamino)propoxy]-1,3-difluoro-10H-acridin-9-one (PubChem CID 155524049) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is 6-[3-(diethylamino)propoxy]-1,3-difluoro-10H-acridin-9-one.

Molecular Properties

Compound Name6-[3-(diethylamino)propoxy]-1,3-difluoro-10H-acridin-9-one
PubChem CID155524049
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC Name6-[3-(diethylamino)propoxy]-1,3-difluoro-10H-acridin-9-one
SMILESCCN(CC)CCCOc1ccc2c(=O)c3c(F)cc(F)cc3[nH]c2c1
InChIInChI=1S/C20H22F2N2O2/c1-3-24(4-2)8-5-9-26-14-6-7-15-17(12-14)23-18-11-13(21)10-16(22)19(18)20(15)25/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,23,25)
InChIKeySBYLVYVHCBSERJ-UHFFFAOYSA-N
XLogP4.07
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 54.07
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'}

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Related Compounds

Encainide
CID 48041
Acronycine
CID 345512
7-Methoxy-1-methyl-2-phenyl-4(1H)-quinolinone
CID 253834
3-Chloro-6-[2-(diethylamino)ethoxy]-10-[2-(diethylamino)ethyl]acridin-9-one
CID 16725316
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

Frequently Asked Questions

What is the IUPAC name of 6-[3-(diethylamino)propoxy]-1,3-difluoro-10H-acridin-9-one?
The IUPAC name of 6-[3-(diethylamino)propoxy]-1,3-difluoro-10H-acridin-9-one (CID 155524049) is 6-[3-(diethylamino)propoxy]-1,3-difluoro-10H-acridin-9-one.
What is the SMILES notation for 6-[3-(diethylamino)propoxy]-1,3-difluoro-10H-acridin-9-one?
The canonical SMILES for 6-[3-(diethylamino)propoxy]-1,3-difluoro-10H-acridin-9-one is CCN(CC)CCCOc1ccc2c(=O)c3c(F)cc(F)cc3[nH]c2c1.
What is the InChIKey of 6-[3-(diethylamino)propoxy]-1,3-difluoro-10H-acridin-9-one?
The InChIKey is SBYLVYVHCBSERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c1-3-24(4-2)8-5-9-26-14-6-7-15-17(12-14)23-18-11-13(21)10-16(22)19(18)20(15)25/h6-7,10-12H,3-5,8-9H2,1-2H3,(H,23,25).
What are the key properties of 6-[3-(diethylamino)propoxy]-1,3-difluoro-10H-acridin-9-one?
6-[3-(diethylamino)propoxy]-1,3-difluoro-10H-acridin-9-one has a molecular weight of 360.40 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(diethylamino)propoxy]-1,3-difluoro-10H-acridin-9-one is sourced from PubChem (CID 155524049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).