6-hydroxy-11-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one

C20H19NO4 — CID 14463134

IUPAC6-hydroxy-11-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
SMILESCOc1cccc2c(=O)c3c(O)cc4c(c3n(C)c12)C=CC(C)(C)O4
InChIInChI=1S/C20H19NO4/c1-20(2)9-8-11-15(25-20)10-13(22)16-18(11)21(3)17-12(19(16)23)6-5-7-14(17)24-4/h5-10,22H,1-4H3
InChIKeyUNXDMEUOZWETRG-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.59
Rot. Bonds1

About 6-hydroxy-11-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one

6-hydroxy-11-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one (PubChem CID 14463134) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 6-hydroxy-11-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one.

Molecular Properties

Compound Name6-hydroxy-11-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
PubChem CID14463134
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name6-hydroxy-11-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one
SMILESCOc1cccc2c(=O)c3c(O)cc4c(c3n(C)c12)C=CC(C)(C)O4
InChIInChI=1S/C20H19NO4/c1-20(2)9-8-11-15(25-20)10-13(22)16-18(11)21(3)17-12(19(16)23)6-5-7-14(17)24-4/h5-10,22H,1-4H3
InChIKeyUNXDMEUOZWETRG-UHFFFAOYSA-N
XLogP3.59
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
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-hydroxy-11-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one?
The IUPAC name of 6-hydroxy-11-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one (CID 14463134) is 6-hydroxy-11-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one.
What is the SMILES notation for 6-hydroxy-11-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one?
The canonical SMILES for 6-hydroxy-11-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one is COc1cccc2c(=O)c3c(O)cc4c(c3n(C)c12)C=CC(C)(C)O4.
What is the InChIKey of 6-hydroxy-11-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one?
The InChIKey is UNXDMEUOZWETRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-20(2)9-8-11-15(25-20)10-13(22)16-18(11)21(3)17-12(19(16)23)6-5-7-14(17)24-4/h5-10,22H,1-4H3.
What are the key properties of 6-hydroxy-11-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one?
6-hydroxy-11-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one has a molecular weight of 337.38 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-11-methoxy-3,3,12-trimethylpyrano[2,3-c]acridin-7-one is sourced from PubChem (CID 14463134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).