5-fluoro-7-methyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione

C15H9F4N3O2 — CID 158981409

IUPAC5-fluoro-7-methyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione
SMILESCc1cc(F)c2c(=O)[nH]c(=O)n(-c3cccnc3C(F)(F)F)c2c1
InChIInChI=1S/C15H9F4N3O2/c1-7-5-8(16)11-10(6-7)22(14(24)21-13(11)23)9-3-2-4-20-12(9)15(17,18)19/h2-6H,1H3,(H,21,23,24)
InChIKeyJPAYFDXGJAGTPX-UHFFFAOYSA-N
MW339.25 g/mol
LogP2.54
Rot. Bonds1

About 5-fluoro-7-methyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione

5-fluoro-7-methyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione (PubChem CID 158981409) has the molecular formula C15H9F4N3O2 and a molecular weight of 339.25 g/mol. Its IUPAC name is 5-fluoro-7-methyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name5-fluoro-7-methyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione
PubChem CID158981409
Molecular FormulaC15H9F4N3O2
Molecular Weight339.25 g/mol
Exact Mass339.06
IUPAC Name5-fluoro-7-methyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione
SMILESCc1cc(F)c2c(=O)[nH]c(=O)n(-c3cccnc3C(F)(F)F)c2c1
InChIInChI=1S/C15H9F4N3O2/c1-7-5-8(16)11-10(6-7)22(14(24)21-13(11)23)9-3-2-4-20-12(9)15(17,18)19/h2-6H,1H3,(H,21,23,24)
InChIKeyJPAYFDXGJAGTPX-UHFFFAOYSA-N
XLogP2.54
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.25
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(trifluoromethyl)-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione
CID 154929330
7-cyclopropyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione
CID 147367406
7-chloro-5-methoxy-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione
CID 170271302
7-chloro-1-(2-methyl-3-pyridinyl)quinazoline-2,4-dione
CID 170271414
5-(5,6-difluorobenzotriazol-2-yl)-6-methyl-3-(2-methyl-3-pyridinyl)-1H-pyrimidine-2,4-dione
CID 178059032
5-fluoro-1-(2-fluoro-4-methylphenyl)-6-hydroxypyrimidine-2,4-dione
CID 112599069
3-(4-methyl-2-pyridinyl)-2-(trifluoromethyl)pyridine
CID 118507367
1-(3-ethyl-2,4,6-trifluorophenyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 19781665
1-(2-fluoro-4-methylphenyl)sulfonyl-3-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine
CID 71911176
6-fluoro-3-quinolin-8-yl-1H-benzimidazol-2-one
CID 110491246
6-fluoro-2-[2-(trifluoromethyl)-4-pyridinyl]-4H-pyrazolo[1,5-a]quinazolin-5-one
CID 137014551
3-[2-fluoro-5-[(2-propoxy-3-pyridinyl)oxy]phenyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 153426107

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-methyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione?
The IUPAC name of 5-fluoro-7-methyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione (CID 158981409) is 5-fluoro-7-methyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione.
What is the SMILES notation for 5-fluoro-7-methyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione?
The canonical SMILES for 5-fluoro-7-methyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione is Cc1cc(F)c2c(=O)[nH]c(=O)n(-c3cccnc3C(F)(F)F)c2c1.
What is the InChIKey of 5-fluoro-7-methyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione?
The InChIKey is JPAYFDXGJAGTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4N3O2/c1-7-5-8(16)11-10(6-7)22(14(24)21-13(11)23)9-3-2-4-20-12(9)15(17,18)19/h2-6H,1H3,(H,21,23,24).
What are the key properties of 5-fluoro-7-methyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione?
5-fluoro-7-methyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione has a molecular weight of 339.25 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methyl-1-[2-(trifluoromethyl)-3-pyridinyl]quinazoline-2,4-dione is sourced from PubChem (CID 158981409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).