1,3,5-trihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one

C19H19NO4 — CID 11580650

IUPAC1,3,5-trihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one
SMILESCC(C)=CCc1c(O)cc(O)c2c(=O)c3cccc(O)c3n(C)c12
InChIInChI=1S/C19H19NO4/c1-10(2)7-8-11-14(22)9-15(23)16-18(11)20(3)17-12(19(16)24)5-4-6-13(17)21/h4-7,9,21-23H,8H2,1-3H3
InChIKeyOPPJKACRWCPJGU-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.32
Rot. Bonds2

About 1,3,5-trihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one

1,3,5-trihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one (PubChem CID 11580650) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 1,3,5-trihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one.

Molecular Properties

Compound Name1,3,5-trihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one
PubChem CID11580650
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name1,3,5-trihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one
SMILESCC(C)=CCc1c(O)cc(O)c2c(=O)c3cccc(O)c3n(C)c12
InChIInChI=1S/C19H19NO4/c1-10(2)7-8-11-14(22)9-15(23)16-18(11)20(3)17-12(19(16)24)5-4-6-13(17)21/h4-7,9,21-23H,8H2,1-3H3
InChIKeyOPPJKACRWCPJGU-UHFFFAOYSA-N
XLogP3.32
TPSA82.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.32
H-Bond Donors ≤ 53
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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Related Compounds

1,3-Dihydroxy-10-methyl-9(10H)-acridinone
CID 5282066
1,5-Dihydroxy-3,4-dimethoxy-10-methyl-9(10H)-acridinone
CID 5487772
Citrusinine II
CID 10016895
Citbrasine
CID 19093029
Citracridone I
CID 5487591
Glyfoline
CID 5480208
5-Methoxynoracronycine
CID 14463134
1-Hydroxy-3-methoxy-10-methylacridone
CID 5377412
Citpressine I
CID 5494827
citpressine II
CID 5494828
7H-Pyrano[2,3-c]acridin-7-one, 3,12-dihydro-6,11-dihydroxy-3,3,12-trimethyl-5-(3-methyl-2-butenyl)-
CID 633176
1,3-Dihydroxy-10H-acridin-9-one
CID 5467589

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one?
The IUPAC name of 1,3,5-trihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one (CID 11580650) is 1,3,5-trihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one.
What is the SMILES notation for 1,3,5-trihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one?
The canonical SMILES for 1,3,5-trihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one is CC(C)=CCc1c(O)cc(O)c2c(=O)c3cccc(O)c3n(C)c12.
What is the InChIKey of 1,3,5-trihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one?
The InChIKey is OPPJKACRWCPJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-10(2)7-8-11-14(22)9-15(23)16-18(11)20(3)17-12(19(16)24)5-4-6-13(17)21/h4-7,9,21-23H,8H2,1-3H3.
What are the key properties of 1,3,5-trihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one?
1,3,5-trihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one has a molecular weight of 325.36 g/mol, XLogP of 3.32, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trihydroxy-10-methyl-4-(3-methylbut-2-enyl)acridin-9-one is sourced from PubChem (CID 11580650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).