N-[3-(dimethylamino)propyl]-7-fluoro-9-oxo-10H-acridine-2-carboxamide

C19H20FN3O2 — CID 86802615

IUPACN-[3-(dimethylamino)propyl]-7-fluoro-9-oxo-10H-acridine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc2[nH]c3ccc(F)cc3c(=O)c2c1
InChIInChI=1S/C19H20FN3O2/c1-23(2)9-3-8-21-19(25)12-4-6-16-14(10-12)18(24)15-11-13(20)5-7-17(15)22-16/h4-7,10-11H,3,8-9H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyUCMCWTQUPICYFP-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.50
Rot. Bonds5

About N-[3-(dimethylamino)propyl]-7-fluoro-9-oxo-10H-acridine-2-carboxamide

N-[3-(dimethylamino)propyl]-7-fluoro-9-oxo-10H-acridine-2-carboxamide (PubChem CID 86802615) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-7-fluoro-9-oxo-10H-acridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-7-fluoro-9-oxo-10H-acridine-2-carboxamide
PubChem CID86802615
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC NameN-[3-(dimethylamino)propyl]-7-fluoro-9-oxo-10H-acridine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc2[nH]c3ccc(F)cc3c(=O)c2c1
InChIInChI=1S/C19H20FN3O2/c1-23(2)9-3-8-21-19(25)12-4-6-16-14(10-12)18(24)15-11-13(20)5-7-17(15)22-16/h4-7,10-11H,3,8-9H2,1-2H3,(H,21,25)(H,22,24)
InChIKeyUCMCWTQUPICYFP-UHFFFAOYSA-N
XLogP2.50
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
7-fluoro-N-methyl-9-oxo-N-phenyl-10H-acridine-2-carboxamide
CID 75511213
1-N-[3-(dimethylamino)propyl]-3-N-(4-fluorophenyl)benzene-1,3-dicarboxamide
CID 109053436
4-(dimethylamino)-N-[3-(dimethylamino)propyl]benzamide
CID 3978888
N-[2-(dimethylamino)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692285
N-[3-(dimethylamino)propyl]-2-oxo-1H-quinoline-4-carboxamide
CID 110694434
N-[3-(dimethylamino)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 109060264
6-[(2,7-difluoro-9-oxo-10H-acridine-4-carbonyl)amino]hexanoic acid
CID 120522577
4-fluoro-N-[3-[(4-fluorobenzoyl)amino]propyl]benzamide
CID 2841750
4-tert-butyl-N-[3-(dimethylamino)propyl]benzamide
CID 4156706
4-[3-(dimethylamino)propylcarbamoyl]benzoic acid;hydrochloride
CID 163333032
4-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317186

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-7-fluoro-9-oxo-10H-acridine-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-7-fluoro-9-oxo-10H-acridine-2-carboxamide (CID 86802615) is N-[3-(dimethylamino)propyl]-7-fluoro-9-oxo-10H-acridine-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-7-fluoro-9-oxo-10H-acridine-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-7-fluoro-9-oxo-10H-acridine-2-carboxamide is CN(C)CCCNC(=O)c1ccc2[nH]c3ccc(F)cc3c(=O)c2c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-7-fluoro-9-oxo-10H-acridine-2-carboxamide?
The InChIKey is UCMCWTQUPICYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-23(2)9-3-8-21-19(25)12-4-6-16-14(10-12)18(24)15-11-13(20)5-7-17(15)22-16/h4-7,10-11H,3,8-9H2,1-2H3,(H,21,25)(H,22,24).
What are the key properties of N-[3-(dimethylamino)propyl]-7-fluoro-9-oxo-10H-acridine-2-carboxamide?
N-[3-(dimethylamino)propyl]-7-fluoro-9-oxo-10H-acridine-2-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-7-fluoro-9-oxo-10H-acridine-2-carboxamide is sourced from PubChem (CID 86802615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).