3-methoxy-10-[(4-methylphenyl)methyl]acridin-9-one

C22H19NO2 — CID 12751575

IUPAC3-methoxy-10-[(4-methylphenyl)methyl]acridin-9-one
SMILESCOc1ccc2c(=O)c3ccccc3n(Cc3ccc(C)cc3)c2c1
InChIInChI=1S/C22H19NO2/c1-15-7-9-16(10-8-15)14-23-20-6-4-3-5-18(20)22(24)19-12-11-17(25-2)13-21(19)23/h3-13H,14H2,1-2H3
InChIKeyFSEKLAMFXNGCGA-UHFFFAOYSA-N
MW329.40 g/mol
LogP4.52
Rot. Bonds3

About 3-methoxy-10-[(4-methylphenyl)methyl]acridin-9-one

3-methoxy-10-[(4-methylphenyl)methyl]acridin-9-one (PubChem CID 12751575) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-methoxy-10-[(4-methylphenyl)methyl]acridin-9-one.

Molecular Properties

Compound Name3-methoxy-10-[(4-methylphenyl)methyl]acridin-9-one
PubChem CID12751575
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name3-methoxy-10-[(4-methylphenyl)methyl]acridin-9-one
SMILESCOc1ccc2c(=O)c3ccccc3n(Cc3ccc(C)cc3)c2c1
InChIInChI=1S/C22H19NO2/c1-15-7-9-16(10-8-15)14-23-20-6-4-3-5-18(20)22(24)19-12-11-17(25-2)13-21(19)23/h3-13H,14H2,1-2H3
InChIKeyFSEKLAMFXNGCGA-UHFFFAOYSA-N
XLogP4.52
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-benzyl-3-methoxyacridin-9-one
CID 12751573
10-[(3,5-dimethoxyphenyl)methyl]acridin-9-one
CID 25141164
10-[(1-benzyltriazol-4-yl)methyl]-2-methoxyacridin-9-one
CID 118732412
6-methoxy-9-[(4-methylphenyl)methyl]pyrido[3,4-b]indole
CID 170621370
7-(4-methoxyphenyl)-9-[(4-methylphenyl)methyl]carbazole-4-carboxamide
CID 174401048
1-[(4-methoxyphenyl)methyl]-4-methyl-2-oxoquinoline-3-carbonitrile
CID 166437920
9-benzyl-7-methoxypyrido[3,4-b]indole
CID 68940620
10-[(3,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylacridin-9-one
CID 56639627
5-benzyl-8-methoxybenzo[b]carbazole-6,11-dione
CID 12049959
5-amino-1-[(4-methoxyphenyl)methyl]quinolin-2-one
CID 118001654
N-(2,4-dimethoxyphenyl)-4-(2-methyl-9-oxoacridin-10-yl)butanamide
CID 22330317
9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole
CID 58883537

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-10-[(4-methylphenyl)methyl]acridin-9-one?
The IUPAC name of 3-methoxy-10-[(4-methylphenyl)methyl]acridin-9-one (CID 12751575) is 3-methoxy-10-[(4-methylphenyl)methyl]acridin-9-one.
What is the SMILES notation for 3-methoxy-10-[(4-methylphenyl)methyl]acridin-9-one?
The canonical SMILES for 3-methoxy-10-[(4-methylphenyl)methyl]acridin-9-one is COc1ccc2c(=O)c3ccccc3n(Cc3ccc(C)cc3)c2c1.
What is the InChIKey of 3-methoxy-10-[(4-methylphenyl)methyl]acridin-9-one?
The InChIKey is FSEKLAMFXNGCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-15-7-9-16(10-8-15)14-23-20-6-4-3-5-18(20)22(24)19-12-11-17(25-2)13-21(19)23/h3-13H,14H2,1-2H3.
What are the key properties of 3-methoxy-10-[(4-methylphenyl)methyl]acridin-9-one?
3-methoxy-10-[(4-methylphenyl)methyl]acridin-9-one has a molecular weight of 329.40 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-10-[(4-methylphenyl)methyl]acridin-9-one is sourced from PubChem (CID 12751575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).