2-(3-fluoro-4-methoxyphenyl)-10H-acridin-9-one

C20H14FNO2 — CID 25011613

IUPAC2-(3-fluoro-4-methoxyphenyl)-10H-acridin-9-one
SMILESCOc1ccc(-c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1F
InChIInChI=1S/C20H14FNO2/c1-24-19-9-7-13(11-16(19)21)12-6-8-18-15(10-12)20(23)14-4-2-3-5-17(14)22-18/h2-11H,1H3,(H,22,23)
InChIKeyNWZCWOQWWXUWBK-UHFFFAOYSA-N
MW319.34 g/mol
LogP4.50
Rot. Bonds2

About 2-(3-fluoro-4-methoxyphenyl)-10H-acridin-9-one

2-(3-fluoro-4-methoxyphenyl)-10H-acridin-9-one (PubChem CID 25011613) has the molecular formula C20H14FNO2 and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-10H-acridin-9-one.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-10H-acridin-9-one
PubChem CID25011613
Molecular FormulaC20H14FNO2
Molecular Weight319.34 g/mol
Exact Mass319.10
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-10H-acridin-9-one
SMILESCOc1ccc(-c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1F
InChIInChI=1S/C20H14FNO2/c1-24-19-9-7-13(11-16(19)21)12-6-8-18-15(10-12)20(23)14-4-2-3-5-17(14)22-18/h2-11H,1H3,(H,22,23)
InChIKeyNWZCWOQWWXUWBK-UHFFFAOYSA-N
XLogP4.50
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-10H-acridin-9-one?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-10H-acridin-9-one (CID 25011613) is 2-(3-fluoro-4-methoxyphenyl)-10H-acridin-9-one.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-10H-acridin-9-one?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-10H-acridin-9-one is COc1ccc(-c2ccc3[nH]c4ccccc4c(=O)c3c2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-10H-acridin-9-one?
The InChIKey is NWZCWOQWWXUWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO2/c1-24-19-9-7-13(11-16(19)21)12-6-8-18-15(10-12)20(23)14-4-2-3-5-17(14)22-18/h2-11H,1H3,(H,22,23).
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-10H-acridin-9-one?
2-(3-fluoro-4-methoxyphenyl)-10H-acridin-9-one has a molecular weight of 319.34 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-10H-acridin-9-one is sourced from PubChem (CID 25011613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).