10-ethyl-1-hexyl-3,10a-dihydroacridin-2-one

C21H27NO — CID 87327008

IUPAC10-ethyl-1-hexyl-3,10a-dihydroacridin-2-one
SMILESCCCCCCC1=C2C=C3C=CC=CC3N(CC)C2=CCC1=O
InChIInChI=1S/C21H27NO/c1-3-5-6-7-11-17-18-15-16-10-8-9-12-19(16)22(4-2)20(18)13-14-21(17)23/h8-10,12-13,15,19H,3-7,11,14H2,1-2H3
InChIKeyHMUYYRVFZKLZPT-UHFFFAOYSA-N
MW309.45 g/mol
LogP4.87
Rot. Bonds6

About 10-ethyl-1-hexyl-3,10a-dihydroacridin-2-one

10-ethyl-1-hexyl-3,10a-dihydroacridin-2-one (PubChem CID 87327008) has the molecular formula C21H27NO and a molecular weight of 309.45 g/mol. Its IUPAC name is 10-ethyl-1-hexyl-3,10a-dihydroacridin-2-one.

Molecular Properties

Compound Name10-ethyl-1-hexyl-3,10a-dihydroacridin-2-one
PubChem CID87327008
Molecular FormulaC21H27NO
Molecular Weight309.45 g/mol
Exact Mass309.21
IUPAC Name10-ethyl-1-hexyl-3,10a-dihydroacridin-2-one
SMILESCCCCCCC1=C2C=C3C=CC=CC3N(CC)C2=CCC1=O
InChIInChI=1S/C21H27NO/c1-3-5-6-7-11-17-18-15-16-10-8-9-12-19(16)22(4-2)20(18)13-14-21(17)23/h8-10,12-13,15,19H,3-7,11,14H2,1-2H3
InChIKeyHMUYYRVFZKLZPT-UHFFFAOYSA-N
XLogP4.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 10-ethyl-1-hexyl-3,10a-dihydroacridin-2-one?
The IUPAC name of 10-ethyl-1-hexyl-3,10a-dihydroacridin-2-one (CID 87327008) is 10-ethyl-1-hexyl-3,10a-dihydroacridin-2-one.
What is the SMILES notation for 10-ethyl-1-hexyl-3,10a-dihydroacridin-2-one?
The canonical SMILES for 10-ethyl-1-hexyl-3,10a-dihydroacridin-2-one is CCCCCCC1=C2C=C3C=CC=CC3N(CC)C2=CCC1=O.
What is the InChIKey of 10-ethyl-1-hexyl-3,10a-dihydroacridin-2-one?
The InChIKey is HMUYYRVFZKLZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO/c1-3-5-6-7-11-17-18-15-16-10-8-9-12-19(16)22(4-2)20(18)13-14-21(17)23/h8-10,12-13,15,19H,3-7,11,14H2,1-2H3.
What are the key properties of 10-ethyl-1-hexyl-3,10a-dihydroacridin-2-one?
10-ethyl-1-hexyl-3,10a-dihydroacridin-2-one has a molecular weight of 309.45 g/mol, XLogP of 4.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-ethyl-1-hexyl-3,10a-dihydroacridin-2-one is sourced from PubChem (CID 87327008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).