6-(2,4-difluorophenyl)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]quinazoline-2,4-dione

C21H11F5N2O3 — CID 171392025

IUPAC6-(2,4-difluorophenyl)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]quinazoline-2,4-dione
SMILESO=c1c2cc(-c3ccc(F)cc3F)ccc2n(O)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H11F5N2O3/c22-13-5-6-15(17(23)10-13)11-4-7-18-16(8-11)19(29)27(20(30)28(18)31)14-3-1-2-12(9-14)21(24,25)26/h1-10,31H
InChIKeyRABQFXPGEBVKJH-UHFFFAOYSA-N
MW434.32 g/mol
LogP4.35
Rot. Bonds2

About 6-(2,4-difluorophenyl)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]quinazoline-2,4-dione

6-(2,4-difluorophenyl)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]quinazoline-2,4-dione (PubChem CID 171392025) has the molecular formula C21H11F5N2O3 and a molecular weight of 434.32 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]quinazoline-2,4-dione
PubChem CID171392025
Molecular FormulaC21H11F5N2O3
Molecular Weight434.32 g/mol
Exact Mass434.07
IUPAC Name6-(2,4-difluorophenyl)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]quinazoline-2,4-dione
SMILESO=c1c2cc(-c3ccc(F)cc3F)ccc2n(O)c(=O)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H11F5N2O3/c22-13-5-6-15(17(23)10-13)11-4-7-18-16(8-11)19(29)27(20(30)28(18)31)14-3-1-2-12(9-14)21(24,25)26/h1-10,31H
InChIKeyRABQFXPGEBVKJH-UHFFFAOYSA-N
XLogP4.35
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.32
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-3-hydroxy-7-pyrrolidin-1-yl-1-[3-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-dione
CID 22633025
3-fluoro-4-[3-(trifluoromethyl)phenyl]benzoyl chloride
CID 134620216
3-(2,4-difluorophenyl)phenol
CID 11356203
3-(2,4-difluorophenyl)-5-(trifluoromethyl)phenol
CID 53221990
3-[5-(3-fluoro-4-phenylphenyl)-2,4-dihydroxyphenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 69441752
2-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-4-ium bromide
CID 21176810
5-(2,4-difluorophenyl)-2-hydroxybenzoic acid;5-(2,4-difluorophenyl)-2-hydroxybenzoyl chloride;5-(2,4-difluorophenyl)-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 157295394
2-fluoro-4-iodo-1-[3-(trifluoromethyl)phenyl]benzene
CID 134620317
9-[3-(2,4-difluorophenyl)-4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2,7-bis(trifluoromethyl)carbazole
CID 138565727
6-[3-[4-[4-[4-[4-[3-[1,3,5,7-tetraoxo-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindol-6-yl]phenoxy]phenyl]sulfonylphenyl]phenyl]sulfonylphenoxy]phenyl]-2-[3-(trifluoromethyl)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 45489458
3-[5-(4-fluorophenyl)-1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]propanoate
CID 7278885
5-(2,4-difluorophenyl)-2-hydroxy-N-(3-methoxyphenyl)benzamide;6-(2,4-difluorophenyl)-3-(3-methoxyphenyl)-1,3-benzoxazine-2,4-dione
CID 159345589

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]quinazoline-2,4-dione?
The IUPAC name of 6-(2,4-difluorophenyl)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]quinazoline-2,4-dione (CID 171392025) is 6-(2,4-difluorophenyl)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]quinazoline-2,4-dione.
What is the SMILES notation for 6-(2,4-difluorophenyl)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]quinazoline-2,4-dione?
The canonical SMILES for 6-(2,4-difluorophenyl)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]quinazoline-2,4-dione is O=c1c2cc(-c3ccc(F)cc3F)ccc2n(O)c(=O)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-(2,4-difluorophenyl)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]quinazoline-2,4-dione?
The InChIKey is RABQFXPGEBVKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11F5N2O3/c22-13-5-6-15(17(23)10-13)11-4-7-18-16(8-11)19(29)27(20(30)28(18)31)14-3-1-2-12(9-14)21(24,25)26/h1-10,31H.
What are the key properties of 6-(2,4-difluorophenyl)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]quinazoline-2,4-dione?
6-(2,4-difluorophenyl)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]quinazoline-2,4-dione has a molecular weight of 434.32 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-1-hydroxy-3-[3-(trifluoromethyl)phenyl]quinazoline-2,4-dione is sourced from PubChem (CID 171392025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).