3-[(3-bromophenyl)methyl]-6-fluoro-1H-quinazoline-2,4-dione

C15H10BrFN2O2 — CID 112707458

IUPAC3-[(3-bromophenyl)methyl]-6-fluoro-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccc(F)cc2c(=O)n1Cc1cccc(Br)c1
InChIInChI=1S/C15H10BrFN2O2/c16-10-3-1-2-9(6-10)8-19-14(20)12-7-11(17)4-5-13(12)18-15(19)21/h1-7H,8H2,(H,18,21)
InChIKeyGZALTEXIMQJULX-UHFFFAOYSA-N
MW349.16 g/mol
LogP2.64
Rot. Bonds2

About 3-[(3-bromophenyl)methyl]-6-fluoro-1H-quinazoline-2,4-dione

3-[(3-bromophenyl)methyl]-6-fluoro-1H-quinazoline-2,4-dione (PubChem CID 112707458) has the molecular formula C15H10BrFN2O2 and a molecular weight of 349.16 g/mol. Its IUPAC name is 3-[(3-bromophenyl)methyl]-6-fluoro-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name3-[(3-bromophenyl)methyl]-6-fluoro-1H-quinazoline-2,4-dione
PubChem CID112707458
Molecular FormulaC15H10BrFN2O2
Molecular Weight349.16 g/mol
Exact Mass347.99
IUPAC Name3-[(3-bromophenyl)methyl]-6-fluoro-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c2ccc(F)cc2c(=O)n1Cc1cccc(Br)c1
InChIInChI=1S/C15H10BrFN2O2/c16-10-3-1-2-9(6-10)8-19-14(20)12-7-11(17)4-5-13(12)18-15(19)21/h1-7H,8H2,(H,18,21)
InChIKeyGZALTEXIMQJULX-UHFFFAOYSA-N
XLogP2.64
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.16
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)methyl]-6-fluoro-1H-quinazoline-2,4-dione?
The IUPAC name of 3-[(3-bromophenyl)methyl]-6-fluoro-1H-quinazoline-2,4-dione (CID 112707458) is 3-[(3-bromophenyl)methyl]-6-fluoro-1H-quinazoline-2,4-dione.
What is the SMILES notation for 3-[(3-bromophenyl)methyl]-6-fluoro-1H-quinazoline-2,4-dione?
The canonical SMILES for 3-[(3-bromophenyl)methyl]-6-fluoro-1H-quinazoline-2,4-dione is O=c1[nH]c2ccc(F)cc2c(=O)n1Cc1cccc(Br)c1.
What is the InChIKey of 3-[(3-bromophenyl)methyl]-6-fluoro-1H-quinazoline-2,4-dione?
The InChIKey is GZALTEXIMQJULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O2/c16-10-3-1-2-9(6-10)8-19-14(20)12-7-11(17)4-5-13(12)18-15(19)21/h1-7H,8H2,(H,18,21).
What are the key properties of 3-[(3-bromophenyl)methyl]-6-fluoro-1H-quinazoline-2,4-dione?
3-[(3-bromophenyl)methyl]-6-fluoro-1H-quinazoline-2,4-dione has a molecular weight of 349.16 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)methyl]-6-fluoro-1H-quinazoline-2,4-dione is sourced from PubChem (CID 112707458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).