6,11-dihydroxy-3,3,12-trimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]acridin-7-one

C24H25NO4 — CID 633176

IUPAC6,11-dihydroxy-3,3,12-trimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]acridin-7-one
SMILESCC(C)=CCc1c2c(c3c(c1O)c(=O)c1cccc(O)c1n3C)C=CC(C)(C)O2
InChIInChI=1S/C24H25NO4/c1-13(2)9-10-16-22(28)18-20(15-11-12-24(3,4)29-23(15)16)25(5)19-14(21(18)27)7-6-8-17(19)26/h6-9,11-12,26,28H,10H2,1-5H3
InChIKeyJLDLLLFQYFAMHX-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.80
Rot. Bonds2

About 6,11-dihydroxy-3,3,12-trimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]acridin-7-one

6,11-dihydroxy-3,3,12-trimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]acridin-7-one (PubChem CID 633176) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is 6,11-dihydroxy-3,3,12-trimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]acridin-7-one.

Molecular Properties

Compound Name6,11-dihydroxy-3,3,12-trimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]acridin-7-one
PubChem CID633176
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name6,11-dihydroxy-3,3,12-trimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]acridin-7-one
SMILESCC(C)=CCc1c2c(c3c(c1O)c(=O)c1cccc(O)c1n3C)C=CC(C)(C)O2
InChIInChI=1S/C24H25NO4/c1-13(2)9-10-16-22(28)18-20(15-11-12-24(3,4)29-23(15)16)25(5)19-14(21(18)27)7-6-8-17(19)26/h6-9,11-12,26,28H,10H2,1-5H3
InChIKeyJLDLLLFQYFAMHX-UHFFFAOYSA-N
XLogP4.80
TPSA71.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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-3,3,12-trimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]acridin-7-one?
The IUPAC name of 6,11-dihydroxy-3,3,12-trimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]acridin-7-one (CID 633176) is 6,11-dihydroxy-3,3,12-trimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]acridin-7-one.
What is the SMILES notation for 6,11-dihydroxy-3,3,12-trimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]acridin-7-one?
The canonical SMILES for 6,11-dihydroxy-3,3,12-trimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]acridin-7-one is CC(C)=CCc1c2c(c3c(c1O)c(=O)c1cccc(O)c1n3C)C=CC(C)(C)O2.
What is the InChIKey of 6,11-dihydroxy-3,3,12-trimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]acridin-7-one?
The InChIKey is JLDLLLFQYFAMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-13(2)9-10-16-22(28)18-20(15-11-12-24(3,4)29-23(15)16)25(5)19-14(21(18)27)7-6-8-17(19)26/h6-9,11-12,26,28H,10H2,1-5H3.
What are the key properties of 6,11-dihydroxy-3,3,12-trimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]acridin-7-one?
6,11-dihydroxy-3,3,12-trimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]acridin-7-one has a molecular weight of 391.47 g/mol, XLogP of 4.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-dihydroxy-3,3,12-trimethyl-5-(3-methylbut-2-enyl)pyrano[2,3-c]acridin-7-one is sourced from PubChem (CID 633176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).