2-(3-fluoro-4-methoxyphenyl)-10-prop-2-enylacridin-9-one

C23H18FNO2 — CID 25011612

IUPAC2-(3-fluoro-4-methoxyphenyl)-10-prop-2-enylacridin-9-one
SMILESC=CCn1c2ccccc2c(=O)c2cc(-c3ccc(OC)c(F)c3)ccc21
InChIInChI=1S/C23H18FNO2/c1-3-12-25-20-7-5-4-6-17(20)23(26)18-13-15(8-10-21(18)25)16-9-11-22(27-2)19(24)14-16/h3-11,13-14H,1,12H2,2H3
InChIKeySPSYEANFPJQJCO-UHFFFAOYSA-N
MW359.40 g/mol
LogP5.16
Rot. Bonds4

About 2-(3-fluoro-4-methoxyphenyl)-10-prop-2-enylacridin-9-one

2-(3-fluoro-4-methoxyphenyl)-10-prop-2-enylacridin-9-one (PubChem CID 25011612) has the molecular formula C23H18FNO2 and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-10-prop-2-enylacridin-9-one.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-10-prop-2-enylacridin-9-one
PubChem CID25011612
Molecular FormulaC23H18FNO2
Molecular Weight359.40 g/mol
Exact Mass359.13
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-10-prop-2-enylacridin-9-one
SMILESC=CCn1c2ccccc2c(=O)c2cc(-c3ccc(OC)c(F)c3)ccc21
InChIInChI=1S/C23H18FNO2/c1-3-12-25-20-7-5-4-6-17(20)23(26)18-13-15(8-10-21(18)25)16-9-11-22(27-2)19(24)14-16/h3-11,13-14H,1,12H2,2H3
InChIKeySPSYEANFPJQJCO-UHFFFAOYSA-N
XLogP5.16
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.40
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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)-10-prop-2-enylacridin-9-one?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-10-prop-2-enylacridin-9-one (CID 25011612) is 2-(3-fluoro-4-methoxyphenyl)-10-prop-2-enylacridin-9-one.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-10-prop-2-enylacridin-9-one?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-10-prop-2-enylacridin-9-one is C=CCn1c2ccccc2c(=O)c2cc(-c3ccc(OC)c(F)c3)ccc21.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-10-prop-2-enylacridin-9-one?
The InChIKey is SPSYEANFPJQJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO2/c1-3-12-25-20-7-5-4-6-17(20)23(26)18-13-15(8-10-21(18)25)16-9-11-22(27-2)19(24)14-16/h3-11,13-14H,1,12H2,2H3.
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-10-prop-2-enylacridin-9-one?
2-(3-fluoro-4-methoxyphenyl)-10-prop-2-enylacridin-9-one has a molecular weight of 359.40 g/mol, XLogP of 5.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-10-prop-2-enylacridin-9-one is sourced from PubChem (CID 25011612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).