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

C18H15NO4 — CID 5479542

IUPAC6,11-dihydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
SMILESCC1(C)C=Cc2c(cc(O)c3c(=O)c4cccc(O)c4[nH]c23)O1
InChIInChI=1S/C18H15NO4/c1-18(2)7-6-9-13(23-18)8-12(21)14-16(9)19-15-10(17(14)22)4-3-5-11(15)20/h3-8,20-21H,1-2H3,(H,19,22)
InChIKeyQMIBOFBCPAGGAC-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.28
Rot. Bonds

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

6,11-dihydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one (PubChem CID 5479542) has the molecular formula C18H15NO4 and a molecular weight of 309.32 g/mol. Its IUPAC name is 6,11-dihydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one.

Molecular Properties

Compound Name6,11-dihydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
PubChem CID5479542
Molecular FormulaC18H15NO4
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name6,11-dihydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one
SMILESCC1(C)C=Cc2c(cc(O)c3c(=O)c4cccc(O)c4[nH]c23)O1
InChIInChI=1S/C18H15NO4/c1-18(2)7-6-9-13(23-18)8-12(21)14-16(9)19-15-10(17(14)22)4-3-5-11(15)20/h3-8,20-21H,1-2H3,(H,19,22)
InChIKeyQMIBOFBCPAGGAC-UHFFFAOYSA-N
XLogP3.28
TPSA82.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 6,11-dihydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one?
The IUPAC name of 6,11-dihydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one (CID 5479542) is 6,11-dihydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one.
What is the SMILES notation for 6,11-dihydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one?
The canonical SMILES for 6,11-dihydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one is CC1(C)C=Cc2c(cc(O)c3c(=O)c4cccc(O)c4[nH]c23)O1.
What is the InChIKey of 6,11-dihydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one?
The InChIKey is QMIBOFBCPAGGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4/c1-18(2)7-6-9-13(23-18)8-12(21)14-16(9)19-15-10(17(14)22)4-3-5-11(15)20/h3-8,20-21H,1-2H3,(H,19,22).
What are the key properties of 6,11-dihydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one?
6,11-dihydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one has a molecular weight of 309.32 g/mol, XLogP of 3.28, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-dihydroxy-3,3-dimethyl-12H-pyrano[2,3-c]acridin-7-one is sourced from PubChem (CID 5479542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).