3-ethoxy-1-hydroxy-7-methoxy-10,10a-dihydro-1H-acridin-2-one

C16H17NO4 — CID 87986005

IUPAC3-ethoxy-1-hydroxy-7-methoxy-10,10a-dihydro-1H-acridin-2-one
SMILESCCOC1=CC2=C(C=C3C=C(OC)C=CC3N2)C(O)C1=O
InChIInChI=1S/C16H17NO4/c1-3-21-14-8-13-11(15(18)16(14)19)7-9-6-10(20-2)4-5-12(9)17-13/h4-8,12,15,17-18H,3H2,1-2H3
InChIKeyUTYDPBBUBDMEKH-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.10
Rot. Bonds3

About 3-ethoxy-1-hydroxy-7-methoxy-10,10a-dihydro-1H-acridin-2-one

3-ethoxy-1-hydroxy-7-methoxy-10,10a-dihydro-1H-acridin-2-one (PubChem CID 87986005) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-ethoxy-1-hydroxy-7-methoxy-10,10a-dihydro-1H-acridin-2-one.

Molecular Properties

Compound Name3-ethoxy-1-hydroxy-7-methoxy-10,10a-dihydro-1H-acridin-2-one
PubChem CID87986005
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name3-ethoxy-1-hydroxy-7-methoxy-10,10a-dihydro-1H-acridin-2-one
SMILESCCOC1=CC2=C(C=C3C=C(OC)C=CC3N2)C(O)C1=O
InChIInChI=1S/C16H17NO4/c1-3-21-14-8-13-11(15(18)16(14)19)7-9-6-10(20-2)4-5-12(9)17-13/h4-8,12,15,17-18H,3H2,1-2H3
InChIKeyUTYDPBBUBDMEKH-UHFFFAOYSA-N
XLogP1.10
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-ethoxy-1-hydroxy-7-methoxy-10,10a-dihydro-1H-acridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-hydroxy-7-methoxy-10,10a-dihydro-1H-acridin-2-one?
The IUPAC name of 3-ethoxy-1-hydroxy-7-methoxy-10,10a-dihydro-1H-acridin-2-one (CID 87986005) is 3-ethoxy-1-hydroxy-7-methoxy-10,10a-dihydro-1H-acridin-2-one.
What is the SMILES notation for 3-ethoxy-1-hydroxy-7-methoxy-10,10a-dihydro-1H-acridin-2-one?
The canonical SMILES for 3-ethoxy-1-hydroxy-7-methoxy-10,10a-dihydro-1H-acridin-2-one is CCOC1=CC2=C(C=C3C=C(OC)C=CC3N2)C(O)C1=O.
What is the InChIKey of 3-ethoxy-1-hydroxy-7-methoxy-10,10a-dihydro-1H-acridin-2-one?
The InChIKey is UTYDPBBUBDMEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-3-21-14-8-13-11(15(18)16(14)19)7-9-6-10(20-2)4-5-12(9)17-13/h4-8,12,15,17-18H,3H2,1-2H3.
What are the key properties of 3-ethoxy-1-hydroxy-7-methoxy-10,10a-dihydro-1H-acridin-2-one?
3-ethoxy-1-hydroxy-7-methoxy-10,10a-dihydro-1H-acridin-2-one has a molecular weight of 287.32 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-hydroxy-7-methoxy-10,10a-dihydro-1H-acridin-2-one is sourced from PubChem (CID 87986005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).