10-benzyl-3-methoxyacridin-9-one

C21H17NO2 — CID 12751573

IUPAC10-benzyl-3-methoxyacridin-9-one
SMILESCOc1ccc2c(=O)c3ccccc3n(Cc3ccccc3)c2c1
InChIInChI=1S/C21H17NO2/c1-24-16-11-12-18-20(13-16)22(14-15-7-3-2-4-8-15)19-10-6-5-9-17(19)21(18)23/h2-13H,14H2,1H3
InChIKeyUCTIYYWYZWFLDY-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.21
Rot. Bonds3

About 10-benzyl-3-methoxyacridin-9-one

10-benzyl-3-methoxyacridin-9-one (PubChem CID 12751573) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 10-benzyl-3-methoxyacridin-9-one.

Molecular Properties

Compound Name10-benzyl-3-methoxyacridin-9-one
PubChem CID12751573
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name10-benzyl-3-methoxyacridin-9-one
SMILESCOc1ccc2c(=O)c3ccccc3n(Cc3ccccc3)c2c1
InChIInChI=1S/C21H17NO2/c1-24-16-11-12-18-20(13-16)22(14-15-7-3-2-4-8-15)19-10-6-5-9-17(19)21(18)23/h2-13H,14H2,1H3
InChIKeyUCTIYYWYZWFLDY-UHFFFAOYSA-N
XLogP4.21
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 10-benzyl-3-methoxyacridin-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-10-[(4-methylphenyl)methyl]acridin-9-one
CID 12751575
10-[(3,5-dimethoxyphenyl)methyl]acridin-9-one
CID 25141164
10-[(1-benzyltriazol-4-yl)methyl]-2-methoxyacridin-9-one
CID 118732412
9-benzyl-7-methoxypyrido[3,4-b]indole
CID 68940620
5-benzyl-8-methoxybenzo[b]carbazole-6,11-dione
CID 12049959
5,12-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]quinolino[2,3-b]acridine-7,14-dione
CID 102217512
10-[(3,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylacridin-9-one
CID 56639627
1-benzyl-6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)indole
CID 134907072
10-benzyl-2-nitroacridin-9-one
CID 12751568
9-benzyl-2-bromocarbazole
CID 123133636
1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
CID 166447403
N-[(9-benzyl-2-methoxycarbazol-4-yl)oxymethyl]formamide
CID 54300639

Frequently Asked Questions

What is the IUPAC name of 10-benzyl-3-methoxyacridin-9-one?
The IUPAC name of 10-benzyl-3-methoxyacridin-9-one (CID 12751573) is 10-benzyl-3-methoxyacridin-9-one.
What is the SMILES notation for 10-benzyl-3-methoxyacridin-9-one?
The canonical SMILES for 10-benzyl-3-methoxyacridin-9-one is COc1ccc2c(=O)c3ccccc3n(Cc3ccccc3)c2c1.
What is the InChIKey of 10-benzyl-3-methoxyacridin-9-one?
The InChIKey is UCTIYYWYZWFLDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c1-24-16-11-12-18-20(13-16)22(14-15-7-3-2-4-8-15)19-10-6-5-9-17(19)21(18)23/h2-13H,14H2,1H3.
What are the key properties of 10-benzyl-3-methoxyacridin-9-one?
10-benzyl-3-methoxyacridin-9-one has a molecular weight of 315.37 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-3-methoxyacridin-9-one is sourced from PubChem (CID 12751573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).