10-[(3,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylacridin-9-one

C26H26N2O3 — CID 56639627

IUPAC10-[(3,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylacridin-9-one
SMILESCOc1cc(Cn2c3ccccc3c(=O)c3cc(N4CCCC4)ccc32)cc(OC)c1
InChIInChI=1S/C26H26N2O3/c1-30-20-13-18(14-21(16-20)31-2)17-28-24-8-4-3-7-22(24)26(29)23-15-19(9-10-25(23)28)27-11-5-6-12-27/h3-4,7-10,13-16H,5-6,11-12,17H2,1-2H3
InChIKeyDMMCJJQGQPSILD-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.82
Rot. Bonds5

About 10-[(3,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylacridin-9-one

10-[(3,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylacridin-9-one (PubChem CID 56639627) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is 10-[(3,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylacridin-9-one.

Molecular Properties

Compound Name10-[(3,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylacridin-9-one
PubChem CID56639627
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Name10-[(3,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylacridin-9-one
SMILESCOc1cc(Cn2c3ccccc3c(=O)c3cc(N4CCCC4)ccc32)cc(OC)c1
InChIInChI=1S/C26H26N2O3/c1-30-20-13-18(14-21(16-20)31-2)17-28-24-8-4-3-7-22(24)26(29)23-15-19(9-10-25(23)28)27-11-5-6-12-27/h3-4,7-10,13-16H,5-6,11-12,17H2,1-2H3
InChIKeyDMMCJJQGQPSILD-UHFFFAOYSA-N
XLogP4.82
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.82
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

10-[(3,5-dimethoxyphenyl)methyl]-2-(4-hydroxypiperidin-1-yl)acridin-9-one
CID 56639630
10-[(3,5-dimethoxyphenyl)methyl]acridin-9-one
CID 25141164
10-benzyl-3-methoxyacridin-9-one
CID 12751573
10-[2-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]-2-oxoethyl]acridin-9-one
CID 55918166
2,6-diamino-N-[10-[(3,5-dimethoxyphenyl)methyl]-9-oxoacridin-2-yl]hexanamide
CID 52940905
3-methoxy-10-[(4-methylphenyl)methyl]acridin-9-one
CID 12751575
5,12-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methyl]quinolino[2,3-b]acridine-7,14-dione
CID 102217512
5,12-bis[[3,5-bis[(3,5-ditert-butylphenyl)methoxy]phenyl]methyl]quinolino[2,3-b]acridine-7,14-dione
CID 102217516
9-methyl-3-pyrrolidin-1-ylcarbazole
CID 123822276
2-[9-benzyl-6-(1,3-dioxo-6-piperidin-1-ylbenzo[de]isoquinolin-2-yl)carbazol-3-yl]-6-piperidin-1-ylbenzo[de]isoquinoline-1,3-dione
CID 101223130
1-[(3-methoxy-5-piperazin-1-ylphenyl)methyl]quinolin-2-one
CID 10473020
10-[(1-benzyltriazol-4-yl)methyl]-2-methoxyacridin-9-one
CID 118732412

Frequently Asked Questions

What is the IUPAC name of 10-[(3,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylacridin-9-one?
The IUPAC name of 10-[(3,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylacridin-9-one (CID 56639627) is 10-[(3,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylacridin-9-one.
What is the SMILES notation for 10-[(3,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylacridin-9-one?
The canonical SMILES for 10-[(3,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylacridin-9-one is COc1cc(Cn2c3ccccc3c(=O)c3cc(N4CCCC4)ccc32)cc(OC)c1.
What is the InChIKey of 10-[(3,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylacridin-9-one?
The InChIKey is DMMCJJQGQPSILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O3/c1-30-20-13-18(14-21(16-20)31-2)17-28-24-8-4-3-7-22(24)26(29)23-15-19(9-10-25(23)28)27-11-5-6-12-27/h3-4,7-10,13-16H,5-6,11-12,17H2,1-2H3.
What are the key properties of 10-[(3,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylacridin-9-one?
10-[(3,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylacridin-9-one has a molecular weight of 414.51 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(3,5-dimethoxyphenyl)methyl]-2-pyrrolidin-1-ylacridin-9-one is sourced from PubChem (CID 56639627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).