2-fluoro-10-(2-hydroxyethyl)-6-pyrazol-1-ylacridin-9-one

C18H14FN3O2 — CID 139804699

IUPAC2-fluoro-10-(2-hydroxyethyl)-6-pyrazol-1-ylacridin-9-one
SMILESO=c1c2cc(F)ccc2n(CCO)c2cc(-n3cccn3)ccc12
InChIInChI=1S/C18H14FN3O2/c19-12-2-5-16-15(10-12)18(24)14-4-3-13(22-7-1-6-20-22)11-17(14)21(16)8-9-23/h1-7,10-11,23H,8-9H2
InChIKeyRFXJGURPWQEQDQ-UHFFFAOYSA-N
MW323.33 g/mol
LogP2.47
Rot. Bonds3

About 2-fluoro-10-(2-hydroxyethyl)-6-pyrazol-1-ylacridin-9-one

2-fluoro-10-(2-hydroxyethyl)-6-pyrazol-1-ylacridin-9-one (PubChem CID 139804699) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is 2-fluoro-10-(2-hydroxyethyl)-6-pyrazol-1-ylacridin-9-one.

Molecular Properties

Compound Name2-fluoro-10-(2-hydroxyethyl)-6-pyrazol-1-ylacridin-9-one
PubChem CID139804699
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC Name2-fluoro-10-(2-hydroxyethyl)-6-pyrazol-1-ylacridin-9-one
SMILESO=c1c2cc(F)ccc2n(CCO)c2cc(-n3cccn3)ccc12
InChIInChI=1S/C18H14FN3O2/c19-12-2-5-16-15(10-12)18(24)14-4-3-13(22-7-1-6-20-22)11-17(14)21(16)8-9-23/h1-7,10-11,23H,8-9H2
InChIKeyRFXJGURPWQEQDQ-UHFFFAOYSA-N
XLogP2.47
TPSA60.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 52.47
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

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CID 90309942
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CID 46975356
2-fluoro-10-(4-piperidin-1-ylbutyl)acridin-9-one
CID 44596826
1-[4-(4-fluorophenoxy)phenyl]pyrazole
CID 22025364
2,5-difluoro-N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
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2-(2-fluoro-9-oxoacridin-10-yl)-N-phenylacetamide
CID 166637503
10-(3-hydroxypropyl)acridin-9-one
CID 12677142
(3S)-3-(4-fluorophenyl)-3-[(3-pyrazol-1-ylbenzoyl)amino]propanoic acid
CID 97192648
3-[5-fluoro-1-(2-hydroxyethyl)indol-3-yl]-4-pyridin-3-ylpyrrole-2,5-dione
CID 142402265
3,6-difluoro-10-phenylacridin-9-one
CID 156785373
5-fluoro-9-(3-methylbut-2-enyl)-9,15-diazatetracyclo[8.6.0.03,8.011,15]hexadeca-1(10),3(8),4,6,11,13-hexaene-2,16-dione
CID 155762262
2-fluoro-5-pyrazol-1-ylpyridine
CID 141212781

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-10-(2-hydroxyethyl)-6-pyrazol-1-ylacridin-9-one?
The IUPAC name of 2-fluoro-10-(2-hydroxyethyl)-6-pyrazol-1-ylacridin-9-one (CID 139804699) is 2-fluoro-10-(2-hydroxyethyl)-6-pyrazol-1-ylacridin-9-one.
What is the SMILES notation for 2-fluoro-10-(2-hydroxyethyl)-6-pyrazol-1-ylacridin-9-one?
The canonical SMILES for 2-fluoro-10-(2-hydroxyethyl)-6-pyrazol-1-ylacridin-9-one is O=c1c2cc(F)ccc2n(CCO)c2cc(-n3cccn3)ccc12.
What is the InChIKey of 2-fluoro-10-(2-hydroxyethyl)-6-pyrazol-1-ylacridin-9-one?
The InChIKey is RFXJGURPWQEQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c19-12-2-5-16-15(10-12)18(24)14-4-3-13(22-7-1-6-20-22)11-17(14)21(16)8-9-23/h1-7,10-11,23H,8-9H2.
What are the key properties of 2-fluoro-10-(2-hydroxyethyl)-6-pyrazol-1-ylacridin-9-one?
2-fluoro-10-(2-hydroxyethyl)-6-pyrazol-1-ylacridin-9-one has a molecular weight of 323.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-10-(2-hydroxyethyl)-6-pyrazol-1-ylacridin-9-one is sourced from PubChem (CID 139804699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).