3-ethyl-9-phenyl-3,4-dihydro-2H-acridin-1-one

C21H19NO — CID 170855828

IUPAC3-ethyl-9-phenyl-3,4-dihydro-2H-acridin-1-one
SMILESCCC1CC(=O)c2c(nc3ccccc3c2-c2ccccc2)C1
InChIInChI=1S/C21H19NO/c1-2-14-12-18-21(19(23)13-14)20(15-8-4-3-5-9-15)16-10-6-7-11-17(16)22-18/h3-11,14H,2,12-13H2,1H3
InChIKeyHLJCUZDSHCEORH-UHFFFAOYSA-N
MW301.39 g/mol
LogP5.06
Rot. Bonds2

About 3-ethyl-9-phenyl-3,4-dihydro-2H-acridin-1-one

3-ethyl-9-phenyl-3,4-dihydro-2H-acridin-1-one (PubChem CID 170855828) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 3-ethyl-9-phenyl-3,4-dihydro-2H-acridin-1-one.

Molecular Properties

Compound Name3-ethyl-9-phenyl-3,4-dihydro-2H-acridin-1-one
PubChem CID170855828
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name3-ethyl-9-phenyl-3,4-dihydro-2H-acridin-1-one
SMILESCCC1CC(=O)c2c(nc3ccccc3c2-c2ccccc2)C1
InChIInChI=1S/C21H19NO/c1-2-14-12-18-21(19(23)13-14)20(15-8-4-3-5-9-15)16-10-6-7-11-17(16)22-18/h3-11,14H,2,12-13H2,1H3
InChIKeyHLJCUZDSHCEORH-UHFFFAOYSA-N
XLogP5.06
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-9-phenyl-3,4-dihydro-2H-acridin-1-one?
The IUPAC name of 3-ethyl-9-phenyl-3,4-dihydro-2H-acridin-1-one (CID 170855828) is 3-ethyl-9-phenyl-3,4-dihydro-2H-acridin-1-one.
What is the SMILES notation for 3-ethyl-9-phenyl-3,4-dihydro-2H-acridin-1-one?
The canonical SMILES for 3-ethyl-9-phenyl-3,4-dihydro-2H-acridin-1-one is CCC1CC(=O)c2c(nc3ccccc3c2-c2ccccc2)C1.
What is the InChIKey of 3-ethyl-9-phenyl-3,4-dihydro-2H-acridin-1-one?
The InChIKey is HLJCUZDSHCEORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-2-14-12-18-21(19(23)13-14)20(15-8-4-3-5-9-15)16-10-6-7-11-17(16)22-18/h3-11,14H,2,12-13H2,1H3.
What are the key properties of 3-ethyl-9-phenyl-3,4-dihydro-2H-acridin-1-one?
3-ethyl-9-phenyl-3,4-dihydro-2H-acridin-1-one has a molecular weight of 301.39 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-9-phenyl-3,4-dihydro-2H-acridin-1-one is sourced from PubChem (CID 170855828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).