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

C30H27N3O3 — CID 10412744

IUPACN-[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide
SMILESCN(CCOc1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1)Cc1ccccc1
InChIInChI=1S/C30H27N3O3/c1-33(20-21-8-3-2-4-9-21)18-19-36-23-16-14-22(15-17-23)31-30(35)26-12-7-11-25-28(26)32-27-13-6-5-10-24(27)29(25)34/h2-17H,18-20H2,1H3,(H,31,35)(H,32,34)
InChIKeyJRSCZVLXYATRAH-UHFFFAOYSA-N
MW477.56 g/mol
LogP5.44
Rot. Bonds8

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

N-[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide (PubChem CID 10412744) has the molecular formula C30H27N3O3 and a molecular weight of 477.56 g/mol. Its IUPAC name is N-[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide
PubChem CID10412744
Molecular FormulaC30H27N3O3
Molecular Weight477.56 g/mol
Exact Mass477.21
IUPAC NameN-[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide
SMILESCN(CCOc1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1)Cc1ccccc1
InChIInChI=1S/C30H27N3O3/c1-33(20-21-8-3-2-4-9-21)18-19-36-23-16-14-22(15-17-23)31-30(35)26-12-7-11-25-28(26)32-27-13-6-5-10-24(27)29(25)34/h2-17H,18-20H2,1H3,(H,31,35)(H,32,34)
InChIKeyJRSCZVLXYATRAH-UHFFFAOYSA-N
XLogP5.44
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.56
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide?
The IUPAC name of N-[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide (CID 10412744) is N-[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide.
What is the SMILES notation for N-[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide?
The canonical SMILES for N-[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide is CN(CCOc1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1)Cc1ccccc1.
What is the InChIKey of N-[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide?
The InChIKey is JRSCZVLXYATRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3O3/c1-33(20-21-8-3-2-4-9-21)18-19-36-23-16-14-22(15-17-23)31-30(35)26-12-7-11-25-28(26)32-27-13-6-5-10-24(27)29(25)34/h2-17H,18-20H2,1H3,(H,31,35)(H,32,34).
What are the key properties of N-[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide?
N-[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide has a molecular weight of 477.56 g/mol, XLogP of 5.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[benzyl(methyl)amino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide is sourced from PubChem (CID 10412744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).