6,10-dihydroxy-11-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one

C19H17NO5 — CID 86765296

IUPAC6,10-dihydroxy-11-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
SMILESCOc1c(O)ccc2c(=O)c3c(O)cc4c(c3[nH]c12)C=CC(C)(C)O4
InChIInChI=1S/C19H17NO5/c1-19(2)7-6-9-13(25-19)8-12(22)14-15(9)20-16-10(17(14)23)4-5-11(21)18(16)24-3/h4-8,21-22H,1-3H3,(H,20,23)
InChIKeyCOUZVMMRGYONAQ-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.29
Rot. Bonds1

About 6,10-dihydroxy-11-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one

6,10-dihydroxy-11-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one (PubChem CID 86765296) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is 6,10-dihydroxy-11-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one.

Molecular Properties

Compound Name6,10-dihydroxy-11-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
PubChem CID86765296
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name6,10-dihydroxy-11-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
SMILESCOc1c(O)ccc2c(=O)c3c(O)cc4c(c3[nH]c12)C=CC(C)(C)O4
InChIInChI=1S/C19H17NO5/c1-19(2)7-6-9-13(25-19)8-12(22)14-15(9)20-16-10(17(14)23)4-5-11(21)18(16)24-3/h4-8,21-22H,1-3H3,(H,20,23)
InChIKeyCOUZVMMRGYONAQ-UHFFFAOYSA-N
XLogP3.29
TPSA91.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 6,10-dihydroxy-11-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one?
The IUPAC name of 6,10-dihydroxy-11-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one (CID 86765296) is 6,10-dihydroxy-11-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one.
What is the SMILES notation for 6,10-dihydroxy-11-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one?
The canonical SMILES for 6,10-dihydroxy-11-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one is COc1c(O)ccc2c(=O)c3c(O)cc4c(c3[nH]c12)C=CC(C)(C)O4.
What is the InChIKey of 6,10-dihydroxy-11-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one?
The InChIKey is COUZVMMRGYONAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-19(2)7-6-9-13(25-19)8-12(22)14-15(9)20-16-10(17(14)23)4-5-11(21)18(16)24-3/h4-8,21-22H,1-3H3,(H,20,23).
What are the key properties of 6,10-dihydroxy-11-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one?
6,10-dihydroxy-11-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one has a molecular weight of 339.35 g/mol, XLogP of 3.29, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,10-dihydroxy-11-methoxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one is sourced from PubChem (CID 86765296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).