6-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)acridin-9-one

C18H16F3NO — CID 121258325

IUPAC6-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)acridin-9-one
SMILESCCc1ccc2c(=O)c3cc(C)ccc3n(CC(F)(F)F)c2c1
InChIInChI=1S/C18H16F3NO/c1-3-12-5-6-13-16(9-12)22(10-18(19,20)21)15-7-4-11(2)8-14(15)17(13)23/h4-9H,3,10H2,1-2H3
InChIKeyJKWQXSWBLLWCPC-UHFFFAOYSA-N
MW319.33 g/mol
LogP4.59
Rot. Bonds2

About 6-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)acridin-9-one

6-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)acridin-9-one (PubChem CID 121258325) has the molecular formula C18H16F3NO and a molecular weight of 319.33 g/mol. Its IUPAC name is 6-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)acridin-9-one.

Molecular Properties

Compound Name6-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)acridin-9-one
PubChem CID121258325
Molecular FormulaC18H16F3NO
Molecular Weight319.33 g/mol
Exact Mass319.12
IUPAC Name6-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)acridin-9-one
SMILESCCc1ccc2c(=O)c3cc(C)ccc3n(CC(F)(F)F)c2c1
InChIInChI=1S/C18H16F3NO/c1-3-12-5-6-13-16(9-12)22(10-18(19,20)21)15-7-4-11(2)8-14(15)17(13)23/h4-9H,3,10H2,1-2H3
InChIKeyJKWQXSWBLLWCPC-UHFFFAOYSA-N
XLogP4.59
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.33
LogP ≤ 54.59
H-Bond Donors ≤ 50
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 6-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)acridin-9-one?
The IUPAC name of 6-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)acridin-9-one (CID 121258325) is 6-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)acridin-9-one.
What is the SMILES notation for 6-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)acridin-9-one?
The canonical SMILES for 6-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)acridin-9-one is CCc1ccc2c(=O)c3cc(C)ccc3n(CC(F)(F)F)c2c1.
What is the InChIKey of 6-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)acridin-9-one?
The InChIKey is JKWQXSWBLLWCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO/c1-3-12-5-6-13-16(9-12)22(10-18(19,20)21)15-7-4-11(2)8-14(15)17(13)23/h4-9H,3,10H2,1-2H3.
What are the key properties of 6-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)acridin-9-one?
6-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)acridin-9-one has a molecular weight of 319.33 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-10-(2,2,2-trifluoroethyl)acridin-9-one is sourced from PubChem (CID 121258325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).