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

C14H13NO4 — CID 87971511

IUPAC1,3-dihydroxy-7-methoxy-10,10a-dihydro-1H-acridin-2-one
SMILESCOC1=CC2=CC3=C(C=C(O)C(=O)C3O)NC2C=C1
InChIInChI=1S/C14H13NO4/c1-19-8-2-3-10-7(4-8)5-9-11(15-10)6-12(16)14(18)13(9)17/h2-6,10,13,15-17H,1H3
InChIKeyMWOXTJRCYBFGSV-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.62
Rot. Bonds1

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

1,3-dihydroxy-7-methoxy-10,10a-dihydro-1H-acridin-2-one (PubChem CID 87971511) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1,3-dihydroxy-7-methoxy-10,10a-dihydro-1H-acridin-2-one.

Molecular Properties

Compound Name1,3-dihydroxy-7-methoxy-10,10a-dihydro-1H-acridin-2-one
PubChem CID87971511
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name1,3-dihydroxy-7-methoxy-10,10a-dihydro-1H-acridin-2-one
SMILESCOC1=CC2=CC3=C(C=C(O)C(=O)C3O)NC2C=C1
InChIInChI=1S/C14H13NO4/c1-19-8-2-3-10-7(4-8)5-9-11(15-10)6-12(16)14(18)13(9)17/h2-6,10,13,15-17H,1H3
InChIKeyMWOXTJRCYBFGSV-UHFFFAOYSA-N
XLogP0.62
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroxy-7-methoxy-10,10a-dihydro-1H-acridin-2-one?
The IUPAC name of 1,3-dihydroxy-7-methoxy-10,10a-dihydro-1H-acridin-2-one (CID 87971511) is 1,3-dihydroxy-7-methoxy-10,10a-dihydro-1H-acridin-2-one.
What is the SMILES notation for 1,3-dihydroxy-7-methoxy-10,10a-dihydro-1H-acridin-2-one?
The canonical SMILES for 1,3-dihydroxy-7-methoxy-10,10a-dihydro-1H-acridin-2-one is COC1=CC2=CC3=C(C=C(O)C(=O)C3O)NC2C=C1.
What is the InChIKey of 1,3-dihydroxy-7-methoxy-10,10a-dihydro-1H-acridin-2-one?
The InChIKey is MWOXTJRCYBFGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-19-8-2-3-10-7(4-8)5-9-11(15-10)6-12(16)14(18)13(9)17/h2-6,10,13,15-17H,1H3.
What are the key properties of 1,3-dihydroxy-7-methoxy-10,10a-dihydro-1H-acridin-2-one?
1,3-dihydroxy-7-methoxy-10,10a-dihydro-1H-acridin-2-one has a molecular weight of 259.26 g/mol, XLogP of 0.62, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxy-7-methoxy-10,10a-dihydro-1H-acridin-2-one is sourced from PubChem (CID 87971511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).