2,7-diethoxy-10H-acridin-9-one

C17H17NO3 — CID 163923657

IUPAC2,7-diethoxy-10H-acridin-9-one
SMILESCCOc1ccc2[nH]c3ccc(OCC)cc3c(=O)c2c1
InChIInChI=1S/C17H17NO3/c1-3-20-11-5-7-15-13(9-11)17(19)14-10-12(21-4-2)6-8-16(14)18-15/h5-10H,3-4H2,1-2H3,(H,18,19)
InChIKeyRCOXOLARXNQWIO-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.48
Rot. Bonds4

About 2,7-diethoxy-10H-acridin-9-one

2,7-diethoxy-10H-acridin-9-one (PubChem CID 163923657) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2,7-diethoxy-10H-acridin-9-one.

Molecular Properties

Compound Name2,7-diethoxy-10H-acridin-9-one
PubChem CID163923657
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2,7-diethoxy-10H-acridin-9-one
SMILESCCOc1ccc2[nH]c3ccc(OCC)cc3c(=O)c2c1
InChIInChI=1S/C17H17NO3/c1-3-20-11-5-7-15-13(9-11)17(19)14-10-12(21-4-2)6-8-16(14)18-15/h5-10H,3-4H2,1-2H3,(H,18,19)
InChIKeyRCOXOLARXNQWIO-UHFFFAOYSA-N
XLogP3.48
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,7-diethoxy-10H-acridin-9-one?
The IUPAC name of 2,7-diethoxy-10H-acridin-9-one (CID 163923657) is 2,7-diethoxy-10H-acridin-9-one.
What is the SMILES notation for 2,7-diethoxy-10H-acridin-9-one?
The canonical SMILES for 2,7-diethoxy-10H-acridin-9-one is CCOc1ccc2[nH]c3ccc(OCC)cc3c(=O)c2c1.
What is the InChIKey of 2,7-diethoxy-10H-acridin-9-one?
The InChIKey is RCOXOLARXNQWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-3-20-11-5-7-15-13(9-11)17(19)14-10-12(21-4-2)6-8-16(14)18-15/h5-10H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 2,7-diethoxy-10H-acridin-9-one?
2,7-diethoxy-10H-acridin-9-one has a molecular weight of 283.33 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-diethoxy-10H-acridin-9-one is sourced from PubChem (CID 163923657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).