2,7-difluoro-9-oxo-N-(3-pyridazin-3-yloxyphenyl)-10H-acridine-4-carboxamide

C24H14F2N4O3 — CID 154864222

IUPAC2,7-difluoro-9-oxo-N-(3-pyridazin-3-yloxyphenyl)-10H-acridine-4-carboxamide
SMILESO=C(Nc1cccc(Oc2cccnn2)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12
InChIInChI=1S/C24H14F2N4O3/c25-13-6-7-20-17(9-13)23(31)18-10-14(26)11-19(22(18)29-20)24(32)28-15-3-1-4-16(12-15)33-21-5-2-8-27-30-21/h1-12H,(H,28,32)(H,29,31)
InChIKeyMFQAJUMPFMJNGO-UHFFFAOYSA-N
MW444.40 g/mol
LogP4.79
Rot. Bonds4

About 2,7-difluoro-9-oxo-N-(3-pyridazin-3-yloxyphenyl)-10H-acridine-4-carboxamide

2,7-difluoro-9-oxo-N-(3-pyridazin-3-yloxyphenyl)-10H-acridine-4-carboxamide (PubChem CID 154864222) has the molecular formula C24H14F2N4O3 and a molecular weight of 444.40 g/mol. Its IUPAC name is 2,7-difluoro-9-oxo-N-(3-pyridazin-3-yloxyphenyl)-10H-acridine-4-carboxamide.

Molecular Properties

Compound Name2,7-difluoro-9-oxo-N-(3-pyridazin-3-yloxyphenyl)-10H-acridine-4-carboxamide
PubChem CID154864222
Molecular FormulaC24H14F2N4O3
Molecular Weight444.40 g/mol
Exact Mass444.10
IUPAC Name2,7-difluoro-9-oxo-N-(3-pyridazin-3-yloxyphenyl)-10H-acridine-4-carboxamide
SMILESO=C(Nc1cccc(Oc2cccnn2)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12
InChIInChI=1S/C24H14F2N4O3/c25-13-6-7-20-17(9-13)23(31)18-10-14(26)11-19(22(18)29-20)24(32)28-15-3-1-4-16(12-15)33-21-5-2-8-27-30-21/h1-12H,(H,28,32)(H,29,31)
InChIKeyMFQAJUMPFMJNGO-UHFFFAOYSA-N
XLogP4.79
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.40
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-N-(3-pyrazin-2-yloxyphenyl)-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide
CID 78903534
2,4-dimethyl-N-(3-pyridazin-3-yloxyphenyl)-1,3-oxazole-5-carboxamide
CID 71975946
2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide
CID 119894522
2,5-difluoro-9-oxo-N-[3-(trifluoromethyl)phenyl]-10H-acridine-4-carboxamide
CID 86802674
2-methyl-3-(methylamino)-N-(3-pyridazin-3-yloxyphenyl)propanamide;dihydrochloride
CID 119894521
6-[(2,7-difluoro-9-oxo-10H-acridine-4-carbonyl)amino]hexanoic acid
CID 120522577
2-amino-2-(oxan-4-yl)-N-(3-pyridazin-3-yloxyphenyl)acetamide;dihydrochloride
CID 120801133
5-fluoro-N-(3-fluorophenyl)-9-oxo-10H-acridine-4-carboxamide
CID 75511227
N-(3-bromophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849718
N-(3-chlorophenyl)-6-fluoro-4-oxo-1H-quinoline-3-carboxamide
CID 39849727
4-methoxy-N-(3-pyridazin-3-yloxyphenyl)piperidine-4-carboxamide
CID 119894528
1-methyl-3-propan-2-yl-N-(3-pyridazin-3-yloxyphenyl)thieno[3,2-d]pyrazole-5-carboxamide
CID 99813723

Frequently Asked Questions

What is the IUPAC name of 2,7-difluoro-9-oxo-N-(3-pyridazin-3-yloxyphenyl)-10H-acridine-4-carboxamide?
The IUPAC name of 2,7-difluoro-9-oxo-N-(3-pyridazin-3-yloxyphenyl)-10H-acridine-4-carboxamide (CID 154864222) is 2,7-difluoro-9-oxo-N-(3-pyridazin-3-yloxyphenyl)-10H-acridine-4-carboxamide.
What is the SMILES notation for 2,7-difluoro-9-oxo-N-(3-pyridazin-3-yloxyphenyl)-10H-acridine-4-carboxamide?
The canonical SMILES for 2,7-difluoro-9-oxo-N-(3-pyridazin-3-yloxyphenyl)-10H-acridine-4-carboxamide is O=C(Nc1cccc(Oc2cccnn2)c1)c1cc(F)cc2c(=O)c3cc(F)ccc3[nH]c12.
What is the InChIKey of 2,7-difluoro-9-oxo-N-(3-pyridazin-3-yloxyphenyl)-10H-acridine-4-carboxamide?
The InChIKey is MFQAJUMPFMJNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F2N4O3/c25-13-6-7-20-17(9-13)23(31)18-10-14(26)11-19(22(18)29-20)24(32)28-15-3-1-4-16(12-15)33-21-5-2-8-27-30-21/h1-12H,(H,28,32)(H,29,31).
What are the key properties of 2,7-difluoro-9-oxo-N-(3-pyridazin-3-yloxyphenyl)-10H-acridine-4-carboxamide?
2,7-difluoro-9-oxo-N-(3-pyridazin-3-yloxyphenyl)-10H-acridine-4-carboxamide has a molecular weight of 444.40 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-difluoro-9-oxo-N-(3-pyridazin-3-yloxyphenyl)-10H-acridine-4-carboxamide is sourced from PubChem (CID 154864222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).