5-fluoro-3-(3-methylphenyl)-1H-quinazoline-2,4-dione

C15H11FN2O2 — CID 4093447

IUPAC5-fluoro-3-(3-methylphenyl)-1H-quinazoline-2,4-dione
SMILESCc1cccc(-n2c(=O)[nH]c3cccc(F)c3c2=O)c1
InChIInChI=1S/C15H11FN2O2/c1-9-4-2-5-10(8-9)18-14(19)13-11(16)6-3-7-12(13)17-15(18)20/h2-8H,1H3,(H,17,20)
InChIKeyTXKYVGBLCOPMOL-UHFFFAOYSA-N
MW270.26 g/mol
LogP2.13
Rot. Bonds1

About 5-fluoro-3-(3-methylphenyl)-1H-quinazoline-2,4-dione

5-fluoro-3-(3-methylphenyl)-1H-quinazoline-2,4-dione (PubChem CID 4093447) has the molecular formula C15H11FN2O2 and a molecular weight of 270.26 g/mol. Its IUPAC name is 5-fluoro-3-(3-methylphenyl)-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name5-fluoro-3-(3-methylphenyl)-1H-quinazoline-2,4-dione
PubChem CID4093447
Molecular FormulaC15H11FN2O2
Molecular Weight270.26 g/mol
Exact Mass270.08
IUPAC Name5-fluoro-3-(3-methylphenyl)-1H-quinazoline-2,4-dione
SMILESCc1cccc(-n2c(=O)[nH]c3cccc(F)c3c2=O)c1
InChIInChI=1S/C15H11FN2O2/c1-9-4-2-5-10(8-9)18-14(19)13-11(16)6-3-7-12(13)17-15(18)20/h2-8H,1H3,(H,17,20)
InChIKeyTXKYVGBLCOPMOL-UHFFFAOYSA-N
XLogP2.13
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(3-methylphenyl)-1H-quinazoline-2,4-dione?
The IUPAC name of 5-fluoro-3-(3-methylphenyl)-1H-quinazoline-2,4-dione (CID 4093447) is 5-fluoro-3-(3-methylphenyl)-1H-quinazoline-2,4-dione.
What is the SMILES notation for 5-fluoro-3-(3-methylphenyl)-1H-quinazoline-2,4-dione?
The canonical SMILES for 5-fluoro-3-(3-methylphenyl)-1H-quinazoline-2,4-dione is Cc1cccc(-n2c(=O)[nH]c3cccc(F)c3c2=O)c1.
What is the InChIKey of 5-fluoro-3-(3-methylphenyl)-1H-quinazoline-2,4-dione?
The InChIKey is TXKYVGBLCOPMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2/c1-9-4-2-5-10(8-9)18-14(19)13-11(16)6-3-7-12(13)17-15(18)20/h2-8H,1H3,(H,17,20).
What are the key properties of 5-fluoro-3-(3-methylphenyl)-1H-quinazoline-2,4-dione?
5-fluoro-3-(3-methylphenyl)-1H-quinazoline-2,4-dione has a molecular weight of 270.26 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(3-methylphenyl)-1H-quinazoline-2,4-dione is sourced from PubChem (CID 4093447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).