N-[3-[(dimethylamino)methyl]phenyl]-5-fluoro-9-oxo-10H-acridine-4-carboxamide

C23H20FN3O2 — CID 167965304

IUPACN-[3-[(dimethylamino)methyl]phenyl]-5-fluoro-9-oxo-10H-acridine-4-carboxamide
SMILESCN(C)Cc1cccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1
InChIInChI=1S/C23H20FN3O2/c1-27(2)13-14-6-3-7-15(12-14)25-23(29)18-10-4-8-16-20(18)26-21-17(22(16)28)9-5-11-19(21)24/h3-12H,13H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyPTJHEMOGHHNHDR-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.13
Rot. Bonds4

About N-[3-[(dimethylamino)methyl]phenyl]-5-fluoro-9-oxo-10H-acridine-4-carboxamide

N-[3-[(dimethylamino)methyl]phenyl]-5-fluoro-9-oxo-10H-acridine-4-carboxamide (PubChem CID 167965304) has the molecular formula C23H20FN3O2 and a molecular weight of 389.43 g/mol. Its IUPAC name is N-[3-[(dimethylamino)methyl]phenyl]-5-fluoro-9-oxo-10H-acridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(dimethylamino)methyl]phenyl]-5-fluoro-9-oxo-10H-acridine-4-carboxamide
PubChem CID167965304
Molecular FormulaC23H20FN3O2
Molecular Weight389.43 g/mol
Exact Mass389.15
IUPAC NameN-[3-[(dimethylamino)methyl]phenyl]-5-fluoro-9-oxo-10H-acridine-4-carboxamide
SMILESCN(C)Cc1cccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1
InChIInChI=1S/C23H20FN3O2/c1-27(2)13-14-6-3-7-15(12-14)25-23(29)18-10-4-8-16-20(18)26-21-17(22(16)28)9-5-11-19(21)24/h3-12H,13H2,1-2H3,(H,25,29)(H,26,28)
InChIKeyPTJHEMOGHHNHDR-UHFFFAOYSA-N
XLogP4.13
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-N-(3-fluorophenyl)-9-oxo-10H-acridine-4-carboxamide
CID 75511227
2,5-difluoro-9-oxo-N-[3-(trifluoromethyl)phenyl]-10H-acridine-4-carboxamide
CID 86802674
N-[4-[3-[(3,4-dimethoxyphenyl)methyl-methylamino]propoxy]phenyl]-5-fluoro-9-oxo-10H-acridine-4-carboxamide
CID 44523246
2,5-difluoro-9-oxo-N-[4-(trifluoromethyl)phenyl]-10H-acridine-4-carboxamide
CID 86802704
N-[3-[[acetyl(methyl)amino]methyl]phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 33230329
2-(2-amino-2-oxoethyl)sulfanyl-N-[3-[(dimethylamino)methyl]phenyl]benzamide
CID 86932022
2,5-dichloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-4-carboxamide
CID 114917751
N-[4-[2-[(3,4-dimethoxyphenyl)methyl-methylamino]ethyl]phenyl]-5-methoxy-9-oxo-10H-acridine-4-carboxamide
CID 10392830
N-[3-[(dimethylamino)methyl]phenyl]-2-(3-fluoroanilino)pyridine-3-carboxamide
CID 51119906
4-chloro-N-[3-[(dimethylamino)methyl]phenyl]pyridine-3-carboxamide
CID 81227089
4-[[3-[(dimethylamino)methyl]phenyl]carbamoyl]benzoic acid
CID 54173782
2,3-difluoro-N-[3-(hydroxymethyl)phenyl]benzamide
CID 62660527

Frequently Asked Questions

What is the IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-5-fluoro-9-oxo-10H-acridine-4-carboxamide?
The IUPAC name of N-[3-[(dimethylamino)methyl]phenyl]-5-fluoro-9-oxo-10H-acridine-4-carboxamide (CID 167965304) is N-[3-[(dimethylamino)methyl]phenyl]-5-fluoro-9-oxo-10H-acridine-4-carboxamide.
What is the SMILES notation for N-[3-[(dimethylamino)methyl]phenyl]-5-fluoro-9-oxo-10H-acridine-4-carboxamide?
The canonical SMILES for N-[3-[(dimethylamino)methyl]phenyl]-5-fluoro-9-oxo-10H-acridine-4-carboxamide is CN(C)Cc1cccc(NC(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)c1.
What is the InChIKey of N-[3-[(dimethylamino)methyl]phenyl]-5-fluoro-9-oxo-10H-acridine-4-carboxamide?
The InChIKey is PTJHEMOGHHNHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2/c1-27(2)13-14-6-3-7-15(12-14)25-23(29)18-10-4-8-16-20(18)26-21-17(22(16)28)9-5-11-19(21)24/h3-12H,13H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of N-[3-[(dimethylamino)methyl]phenyl]-5-fluoro-9-oxo-10H-acridine-4-carboxamide?
N-[3-[(dimethylamino)methyl]phenyl]-5-fluoro-9-oxo-10H-acridine-4-carboxamide has a molecular weight of 389.43 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(dimethylamino)methyl]phenyl]-5-fluoro-9-oxo-10H-acridine-4-carboxamide is sourced from PubChem (CID 167965304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).