1,3-dihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one

C19H19NO3 — CID 11781835

IUPAC1,3-dihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one
SMILESCC(C)=CCc1c(O)cc(O)c2c(=O)c3ccccc3n(C)c12
InChIInChI=1S/C19H19NO3/c1-11(2)8-9-13-15(21)10-16(22)17-18(13)20(3)14-7-5-4-6-12(14)19(17)23/h4-8,10,21-22H,9H2,1-3H3
InChIKeyZVEGIYHOVGYFQS-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.61
Rot. Bonds2

About 1,3-dihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one

1,3-dihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one (PubChem CID 11781835) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1,3-dihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one.

Molecular Properties

Compound Name1,3-dihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one
PubChem CID11781835
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name1,3-dihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one
SMILESCC(C)=CCc1c(O)cc(O)c2c(=O)c3ccccc3n(C)c12
InChIInChI=1S/C19H19NO3/c1-11(2)8-9-13-15(21)10-16(22)17-18(13)20(3)14-7-5-4-6-12(14)19(17)23/h4-8,10,21-22H,9H2,1-3H3
InChIKeyZVEGIYHOVGYFQS-UHFFFAOYSA-N
XLogP3.61
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1,3-dihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one?
The IUPAC name of 1,3-dihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one (CID 11781835) is 1,3-dihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one.
What is the SMILES notation for 1,3-dihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one?
The canonical SMILES for 1,3-dihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one is CC(C)=CCc1c(O)cc(O)c2c(=O)c3ccccc3n(C)c12.
What is the InChIKey of 1,3-dihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one?
The InChIKey is ZVEGIYHOVGYFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-11(2)8-9-13-15(21)10-16(22)17-18(13)20(3)14-7-5-4-6-12(14)19(17)23/h4-8,10,21-22H,9H2,1-3H3.
What are the key properties of 1,3-dihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one?
1,3-dihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one has a molecular weight of 309.37 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one is sourced from PubChem (CID 11781835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).