5-methoxy-10-methyl-1,3-di(propan-2-yloxy)acridin-9-one

C21H25NO4 — CID 11523258

IUPAC5-methoxy-10-methyl-1,3-di(propan-2-yloxy)acridin-9-one
SMILESCOc1cccc2c(=O)c3c(OC(C)C)cc(OC(C)C)cc3n(C)c12
InChIInChI=1S/C21H25NO4/c1-12(2)25-14-10-16-19(18(11-14)26-13(3)4)21(23)15-8-7-9-17(24-6)20(15)22(16)5/h7-13H,1-6H3
InChIKeyFYXAPZWJUDJOBZ-UHFFFAOYSA-N
MW355.43 g/mol
LogP4.27
Rot. Bonds5

About 5-methoxy-10-methyl-1,3-di(propan-2-yloxy)acridin-9-one

5-methoxy-10-methyl-1,3-di(propan-2-yloxy)acridin-9-one (PubChem CID 11523258) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is 5-methoxy-10-methyl-1,3-di(propan-2-yloxy)acridin-9-one.

Molecular Properties

Compound Name5-methoxy-10-methyl-1,3-di(propan-2-yloxy)acridin-9-one
PubChem CID11523258
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name5-methoxy-10-methyl-1,3-di(propan-2-yloxy)acridin-9-one
SMILESCOc1cccc2c(=O)c3c(OC(C)C)cc(OC(C)C)cc3n(C)c12
InChIInChI=1S/C21H25NO4/c1-12(2)25-14-10-16-19(18(11-14)26-13(3)4)21(23)15-8-7-9-17(24-6)20(15)22(16)5/h7-13H,1-6H3
InChIKeyFYXAPZWJUDJOBZ-UHFFFAOYSA-N
XLogP4.27
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4,11-bis(2-methoxyphenyl)-5,12-dimethylquinolino[2,3-b]acridine-7,14-dione
CID 138654549
3-(2,3-dihydroxypropoxy)-1-methoxy-10-methylacridin-9-one
CID 45113521
3,4-dimethoxy-1-methyl-7-propan-2-yloxyquinolin-2-one
CID 139717812
3-amino-8-methoxy-9-methyl-2H-pyrazolo[3,4-b]quinolin-4-one
CID 14958935
1,3-dimethoxy-5-methylquinolino[2,3-b]quinolin-12-one
CID 68586093
6,7-difluoro-1-methoxy-10-methylacridin-9-one
CID 102061435
4-hydroxy-3-methoxy-1-methyl-7-propan-2-yloxyquinolin-2-one
CID 139717841
1-hydroxy-2,3-dimethoxy-10-methylacridin-9-one
CID 5281832
6-chloro-1,4-dimethoxy-10-methylacridin-9-one
CID 102061426
8-methoxy-2-methyl-4-propan-2-ylisoquinolin-1-one
CID 115063489
5-methoxy-2-methyl-4-propan-2-ylisoquinolin-1-one
CID 115063414
azane;1-hydroxy-3-methoxy-10-methylacridin-9-one
CID 87099944

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-10-methyl-1,3-di(propan-2-yloxy)acridin-9-one?
The IUPAC name of 5-methoxy-10-methyl-1,3-di(propan-2-yloxy)acridin-9-one (CID 11523258) is 5-methoxy-10-methyl-1,3-di(propan-2-yloxy)acridin-9-one.
What is the SMILES notation for 5-methoxy-10-methyl-1,3-di(propan-2-yloxy)acridin-9-one?
The canonical SMILES for 5-methoxy-10-methyl-1,3-di(propan-2-yloxy)acridin-9-one is COc1cccc2c(=O)c3c(OC(C)C)cc(OC(C)C)cc3n(C)c12.
What is the InChIKey of 5-methoxy-10-methyl-1,3-di(propan-2-yloxy)acridin-9-one?
The InChIKey is FYXAPZWJUDJOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4/c1-12(2)25-14-10-16-19(18(11-14)26-13(3)4)21(23)15-8-7-9-17(24-6)20(15)22(16)5/h7-13H,1-6H3.
What are the key properties of 5-methoxy-10-methyl-1,3-di(propan-2-yloxy)acridin-9-one?
5-methoxy-10-methyl-1,3-di(propan-2-yloxy)acridin-9-one has a molecular weight of 355.43 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-10-methyl-1,3-di(propan-2-yloxy)acridin-9-one is sourced from PubChem (CID 11523258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).