4-fluoro-10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]acridin-9-one

C22H26FN3O2 — CID 53363396

IUPAC4-fluoro-10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]acridin-9-one
SMILESO=c1c2ccccc2n(CCCN2CCN(CCO)CC2)c2c(F)cccc12
InChIInChI=1S/C22H26FN3O2/c23-19-7-3-6-18-21(19)26(20-8-2-1-5-17(20)22(18)28)10-4-9-24-11-13-25(14-12-24)15-16-27/h1-3,5-8,27H,4,9-16H2
InChIKeyGFTZKADZQYPSRL-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.29
Rot. Bonds6

About 4-fluoro-10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]acridin-9-one

4-fluoro-10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]acridin-9-one (PubChem CID 53363396) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 4-fluoro-10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]acridin-9-one.

Molecular Properties

Compound Name4-fluoro-10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]acridin-9-one
PubChem CID53363396
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name4-fluoro-10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]acridin-9-one
SMILESO=c1c2ccccc2n(CCCN2CCN(CCO)CC2)c2c(F)cccc12
InChIInChI=1S/C22H26FN3O2/c23-19-7-3-6-18-21(19)26(20-8-2-1-5-17(20)22(18)28)10-4-9-24-11-13-25(14-12-24)15-16-27/h1-3,5-8,27H,4,9-16H2
InChIKeyGFTZKADZQYPSRL-UHFFFAOYSA-N
XLogP2.29
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

10-(3-hydroxypropyl)acridin-9-one
CID 12677142
2-[4-(2-carbazol-9-ylethyl)piperazin-1-yl]ethanol
CID 137460079
2-fluoro-10-(4-piperidin-1-ylbutyl)acridin-9-one
CID 44596826
2-chloro-10-(4-pyrrolidin-1-ylbutyl)acridin-9-one
CID 11846558
10-[4-[4-(2-fluorophenyl)piperazin-1-yl]-4-oxobutyl]acridin-9-one
CID 22330323
2-chloro-10-(4-morpholin-4-ylbutyl)acridin-9-one
CID 11846559
10-[4-[bis(2-hydroxyethyl)amino]butyl]acridin-9-one
CID 11462368
(2R)-1-carbazol-9-yl-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol
CID 7111367
1-(2,6-difluorophenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 62025506
5-fluoro-3-[4-(2-hydroxyethyl)piperazin-1-yl]-2H-isoquinolin-1-one
CID 22931226
2-bromo-10-(4-thiomorpholin-4-ylbutyl)acridin-9-one
CID 11846737
1-[3-(4-benzhydrylpiperazin-1-yl)propyl]quinazoline-2,4-dione
CID 13488383

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]acridin-9-one?
The IUPAC name of 4-fluoro-10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]acridin-9-one (CID 53363396) is 4-fluoro-10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]acridin-9-one.
What is the SMILES notation for 4-fluoro-10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]acridin-9-one?
The canonical SMILES for 4-fluoro-10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]acridin-9-one is O=c1c2ccccc2n(CCCN2CCN(CCO)CC2)c2c(F)cccc12.
What is the InChIKey of 4-fluoro-10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]acridin-9-one?
The InChIKey is GFTZKADZQYPSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c23-19-7-3-6-18-21(19)26(20-8-2-1-5-17(20)22(18)28)10-4-9-24-11-13-25(14-12-24)15-16-27/h1-3,5-8,27H,4,9-16H2.
What are the key properties of 4-fluoro-10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]acridin-9-one?
4-fluoro-10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]acridin-9-one has a molecular weight of 383.47 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]acridin-9-one is sourced from PubChem (CID 53363396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).