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

C30H26FN3O3 — CID 10391067

IUPACN-[4-[2-[(4-fluorophenyl)methyl-methylamino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide
SMILESCN(CCOc1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C30H26FN3O3/c1-34(19-20-9-11-21(31)12-10-20)17-18-37-23-15-13-22(14-16-23)32-30(36)26-7-4-6-25-28(26)33-27-8-3-2-5-24(27)29(25)35/h2-16H,17-19H2,1H3,(H,32,36)(H,33,35)
InChIKeyFAXSWSFSYAJEAT-UHFFFAOYSA-N
MW495.55 g/mol
LogP5.58
Rot. Bonds8

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

N-[4-[2-[(4-fluorophenyl)methyl-methylamino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide (PubChem CID 10391067) has the molecular formula C30H26FN3O3 and a molecular weight of 495.55 g/mol. Its IUPAC name is N-[4-[2-[(4-fluorophenyl)methyl-methylamino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[(4-fluorophenyl)methyl-methylamino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide
PubChem CID10391067
Molecular FormulaC30H26FN3O3
Molecular Weight495.55 g/mol
Exact Mass495.20
IUPAC NameN-[4-[2-[(4-fluorophenyl)methyl-methylamino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide
SMILESCN(CCOc1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1)Cc1ccc(F)cc1
InChIInChI=1S/C30H26FN3O3/c1-34(19-20-9-11-21(31)12-10-20)17-18-37-23-15-13-22(14-16-23)32-30(36)26-7-4-6-25-28(26)33-27-8-3-2-5-24(27)29(25)35/h2-16H,17-19H2,1H3,(H,32,36)(H,33,35)
InChIKeyFAXSWSFSYAJEAT-UHFFFAOYSA-N
XLogP5.58
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.55
LogP ≤ 55.58
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-[(4-fluorophenyl)methyl-methylamino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide?
The IUPAC name of N-[4-[2-[(4-fluorophenyl)methyl-methylamino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide (CID 10391067) is N-[4-[2-[(4-fluorophenyl)methyl-methylamino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide.
What is the SMILES notation for N-[4-[2-[(4-fluorophenyl)methyl-methylamino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide?
The canonical SMILES for N-[4-[2-[(4-fluorophenyl)methyl-methylamino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide is CN(CCOc1ccc(NC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)cc1)Cc1ccc(F)cc1.
What is the InChIKey of N-[4-[2-[(4-fluorophenyl)methyl-methylamino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide?
The InChIKey is FAXSWSFSYAJEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26FN3O3/c1-34(19-20-9-11-21(31)12-10-20)17-18-37-23-15-13-22(14-16-23)32-30(36)26-7-4-6-25-28(26)33-27-8-3-2-5-24(27)29(25)35/h2-16H,17-19H2,1H3,(H,32,36)(H,33,35).
What are the key properties of N-[4-[2-[(4-fluorophenyl)methyl-methylamino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide?
N-[4-[2-[(4-fluorophenyl)methyl-methylamino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide has a molecular weight of 495.55 g/mol, XLogP of 5.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(4-fluorophenyl)methyl-methylamino]ethoxy]phenyl]-9-oxo-10H-acridine-4-carboxamide is sourced from PubChem (CID 10391067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).