10-[(1-benzyltriazol-4-yl)methyl]-2-methoxyacridin-9-one

C24H20N4O2 — CID 118732412

IUPAC10-[(1-benzyltriazol-4-yl)methyl]-2-methoxyacridin-9-one
SMILESCOc1ccc2c(c1)c(=O)c1ccccc1n2Cc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C24H20N4O2/c1-30-19-11-12-23-21(13-19)24(29)20-9-5-6-10-22(20)28(23)16-18-15-27(26-25-18)14-17-7-3-2-4-8-17/h2-13,15H,14,16H2,1H3
InChIKeyDOAAXNWTXPRRIZ-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.85
Rot. Bonds5

About 10-[(1-benzyltriazol-4-yl)methyl]-2-methoxyacridin-9-one

10-[(1-benzyltriazol-4-yl)methyl]-2-methoxyacridin-9-one (PubChem CID 118732412) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is 10-[(1-benzyltriazol-4-yl)methyl]-2-methoxyacridin-9-one.

Molecular Properties

Compound Name10-[(1-benzyltriazol-4-yl)methyl]-2-methoxyacridin-9-one
PubChem CID118732412
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name10-[(1-benzyltriazol-4-yl)methyl]-2-methoxyacridin-9-one
SMILESCOc1ccc2c(c1)c(=O)c1ccccc1n2Cc1cn(Cc2ccccc2)nn1
InChIInChI=1S/C24H20N4O2/c1-30-19-11-12-23-21(13-19)24(29)20-9-5-6-10-22(20)28(23)16-18-15-27(26-25-18)14-17-7-3-2-4-8-17/h2-13,15H,14,16H2,1H3
InChIKeyDOAAXNWTXPRRIZ-UHFFFAOYSA-N
XLogP3.85
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 10-[(1-benzyltriazol-4-yl)methyl]-2-methoxyacridin-9-one?
The IUPAC name of 10-[(1-benzyltriazol-4-yl)methyl]-2-methoxyacridin-9-one (CID 118732412) is 10-[(1-benzyltriazol-4-yl)methyl]-2-methoxyacridin-9-one.
What is the SMILES notation for 10-[(1-benzyltriazol-4-yl)methyl]-2-methoxyacridin-9-one?
The canonical SMILES for 10-[(1-benzyltriazol-4-yl)methyl]-2-methoxyacridin-9-one is COc1ccc2c(c1)c(=O)c1ccccc1n2Cc1cn(Cc2ccccc2)nn1.
What is the InChIKey of 10-[(1-benzyltriazol-4-yl)methyl]-2-methoxyacridin-9-one?
The InChIKey is DOAAXNWTXPRRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-30-19-11-12-23-21(13-19)24(29)20-9-5-6-10-22(20)28(23)16-18-15-27(26-25-18)14-17-7-3-2-4-8-17/h2-13,15H,14,16H2,1H3.
What are the key properties of 10-[(1-benzyltriazol-4-yl)methyl]-2-methoxyacridin-9-one?
10-[(1-benzyltriazol-4-yl)methyl]-2-methoxyacridin-9-one has a molecular weight of 396.45 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(1-benzyltriazol-4-yl)methyl]-2-methoxyacridin-9-one is sourced from PubChem (CID 118732412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).