5-amino-6,8-difluoro-2-[3-fluoro-4-(2-methoxyethylamino)phenyl]chromen-4-one

C18H15F3N2O3 — CID 19434791

IUPAC5-amino-6,8-difluoro-2-[3-fluoro-4-(2-methoxyethylamino)phenyl]chromen-4-one
SMILESCOCCNc1ccc(-c2cc(=O)c3c(N)c(F)cc(F)c3o2)cc1F
InChIInChI=1S/C18H15F3N2O3/c1-25-5-4-23-13-3-2-9(6-10(13)19)15-8-14(24)16-17(22)11(20)7-12(21)18(16)26-15/h2-3,6-8,23H,4-5,22H2,1H3
InChIKeyQZEZMABXDJMCIY-UHFFFAOYSA-N
MW364.32 g/mol
LogP3.52
Rot. Bonds5

About 5-amino-6,8-difluoro-2-[3-fluoro-4-(2-methoxyethylamino)phenyl]chromen-4-one

5-amino-6,8-difluoro-2-[3-fluoro-4-(2-methoxyethylamino)phenyl]chromen-4-one (PubChem CID 19434791) has the molecular formula C18H15F3N2O3 and a molecular weight of 364.32 g/mol. Its IUPAC name is 5-amino-6,8-difluoro-2-[3-fluoro-4-(2-methoxyethylamino)phenyl]chromen-4-one.

Molecular Properties

Compound Name5-amino-6,8-difluoro-2-[3-fluoro-4-(2-methoxyethylamino)phenyl]chromen-4-one
PubChem CID19434791
Molecular FormulaC18H15F3N2O3
Molecular Weight364.32 g/mol
Exact Mass364.10
IUPAC Name5-amino-6,8-difluoro-2-[3-fluoro-4-(2-methoxyethylamino)phenyl]chromen-4-one
SMILESCOCCNc1ccc(-c2cc(=O)c3c(N)c(F)cc(F)c3o2)cc1F
InChIInChI=1S/C18H15F3N2O3/c1-25-5-4-23-13-3-2-9(6-10(13)19)15-8-14(24)16-17(22)11(20)7-12(21)18(16)26-15/h2-3,6-8,23H,4-5,22H2,1H3
InChIKeyQZEZMABXDJMCIY-UHFFFAOYSA-N
XLogP3.52
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-methyl-4H-1-benzopyran-4-one
CID 389710
6-butyl-3-ethyl-2-methyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one
CID 56925542
6-butyl-3-ethyl-7-(2-phenoxyethoxy)-1H-quinolin-4-one
CID 140877895
6-[2-(dipropylamino)ethoxy]-1,3-difluoro-10H-acridin-9-one
CID 155511816
3-[2-(dipropylamino)ethoxy]-6-(trifluoromethyl)-10H-acridin-9-one
CID 155526745
6-[2-[bis(3,3,3-trifluoropropyl)amino]ethoxy]-1,3-difluoro-10H-acridin-9-one
CID 155530530
6-[3-(dipropylamino)propoxy]-1,3-difluoro-10H-acridin-9-one
CID 155546445
9H-Xanthen-9-one, 1-((2-(diethylamino)ethyl)amino)-4-(hydroxymethyl)-
CID 296314
5-Amino-2-(4-aminophenyl)-6,8-difluoro-4H-1-benzopyran-4-one
CID 9817398
5-Amino-2-(4-amino-3-fluorophenyl)-7-dimethylaminoacetoxymethyl-6,8-difluoro-4H-1-benzopyran-4-one
CID 10093635
5-Amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-4H-1-benzopyran-4-one
CID 10267124
5-Amino-2-[4-(methylamino)phenyl]chromen-4-one
CID 10333138

Frequently Asked Questions

What is the IUPAC name of 5-amino-6,8-difluoro-2-[3-fluoro-4-(2-methoxyethylamino)phenyl]chromen-4-one?
The IUPAC name of 5-amino-6,8-difluoro-2-[3-fluoro-4-(2-methoxyethylamino)phenyl]chromen-4-one (CID 19434791) is 5-amino-6,8-difluoro-2-[3-fluoro-4-(2-methoxyethylamino)phenyl]chromen-4-one.
What is the SMILES notation for 5-amino-6,8-difluoro-2-[3-fluoro-4-(2-methoxyethylamino)phenyl]chromen-4-one?
The canonical SMILES for 5-amino-6,8-difluoro-2-[3-fluoro-4-(2-methoxyethylamino)phenyl]chromen-4-one is COCCNc1ccc(-c2cc(=O)c3c(N)c(F)cc(F)c3o2)cc1F.
What is the InChIKey of 5-amino-6,8-difluoro-2-[3-fluoro-4-(2-methoxyethylamino)phenyl]chromen-4-one?
The InChIKey is QZEZMABXDJMCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3/c1-25-5-4-23-13-3-2-9(6-10(13)19)15-8-14(24)16-17(22)11(20)7-12(21)18(16)26-15/h2-3,6-8,23H,4-5,22H2,1H3.
What are the key properties of 5-amino-6,8-difluoro-2-[3-fluoro-4-(2-methoxyethylamino)phenyl]chromen-4-one?
5-amino-6,8-difluoro-2-[3-fluoro-4-(2-methoxyethylamino)phenyl]chromen-4-one has a molecular weight of 364.32 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6,8-difluoro-2-[3-fluoro-4-(2-methoxyethylamino)phenyl]chromen-4-one is sourced from PubChem (CID 19434791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).