N-[4-[2-[methyl-[(4-methylphenyl)methyl]amino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide

C31H29N3O3 — CID 10345507

IUPACN-[4-[2-[methyl-[(4-methylphenyl)methyl]amino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide
SMILESCc1ccc(CN(C)CCOc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cc2)cc1
InChIInChI=1S/C31H29N3O3/c1-21-10-12-22(13-11-21)20-34(2)18-19-37-24-16-14-23(15-17-24)32-31(36)27-8-5-7-26-29(27)33-28-9-4-3-6-25(28)30(26)35/h3-17H,18-20H2,1-2H3,(H,32,36)(H,33,35)
InChIKeyFOSQCAJBNHPMCK-UHFFFAOYSA-N
MW491.59 g/mol
LogP5.75
Rot. Bonds8

About N-[4-[2-[methyl-[(4-methylphenyl)methyl]amino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide

N-[4-[2-[methyl-[(4-methylphenyl)methyl]amino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide (PubChem CID 10345507) has the molecular formula C31H29N3O3 and a molecular weight of 491.59 g/mol. Its IUPAC name is N-[4-[2-[methyl-[(4-methylphenyl)methyl]amino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[methyl-[(4-methylphenyl)methyl]amino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide
PubChem CID10345507
Molecular FormulaC31H29N3O3
Molecular Weight491.59 g/mol
Exact Mass491.22
IUPAC NameN-[4-[2-[methyl-[(4-methylphenyl)methyl]amino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide
SMILESCc1ccc(CN(C)CCOc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cc2)cc1
InChIInChI=1S/C31H29N3O3/c1-21-10-12-22(13-11-21)20-34(2)18-19-37-24-16-14-23(15-17-24)32-31(36)27-8-5-7-26-29(27)33-28-9-4-3-6-25(28)30(26)35/h3-17H,18-20H2,1-2H3,(H,32,36)(H,33,35)
InChIKeyFOSQCAJBNHPMCK-UHFFFAOYSA-N
XLogP5.75
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.59
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[2-[methyl-[(4-methylphenyl)methyl]amino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[methyl-[(4-methylphenyl)methyl]amino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide?
The IUPAC name of N-[4-[2-[methyl-[(4-methylphenyl)methyl]amino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide (CID 10345507) is N-[4-[2-[methyl-[(4-methylphenyl)methyl]amino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide.
What is the SMILES notation for N-[4-[2-[methyl-[(4-methylphenyl)methyl]amino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide?
The canonical SMILES for N-[4-[2-[methyl-[(4-methylphenyl)methyl]amino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide is Cc1ccc(CN(C)CCOc2ccc(NC(=O)c3cccc4c(=O)c5ccccc5[nH]c34)cc2)cc1.
What is the InChIKey of N-[4-[2-[methyl-[(4-methylphenyl)methyl]amino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide?
The InChIKey is FOSQCAJBNHPMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N3O3/c1-21-10-12-22(13-11-21)20-34(2)18-19-37-24-16-14-23(15-17-24)32-31(36)27-8-5-7-26-29(27)33-28-9-4-3-6-25(28)30(26)35/h3-17H,18-20H2,1-2H3,(H,32,36)(H,33,35).
What are the key properties of N-[4-[2-[methyl-[(4-methylphenyl)methyl]amino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide?
N-[4-[2-[methyl-[(4-methylphenyl)methyl]amino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide has a molecular weight of 491.59 g/mol, XLogP of 5.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[methyl-[(4-methylphenyl)methyl]amino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide is sourced from PubChem (CID 10345507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).