7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione

C8H3BrClFN2O2 — CID 118010690

IUPAC7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2cc(Cl)c(Br)c(F)c2[nH]1
InChIInChI=1S/C8H3BrClFN2O2/c9-4-3(10)1-2-6(5(4)11)12-8(15)13-7(2)14/h1H,(H2,12,13,14,15)
InChIKeyQFMMOOSPRNOBFO-UHFFFAOYSA-N
MW293.48 g/mol
LogP1.77
Rot. Bonds

About 7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione

7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione (PubChem CID 118010690) has the molecular formula C8H3BrClFN2O2 and a molecular weight of 293.48 g/mol. Its IUPAC name is 7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione
PubChem CID118010690
Molecular FormulaC8H3BrClFN2O2
Molecular Weight293.48 g/mol
Exact Mass291.91
IUPAC Name7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2cc(Cl)c(Br)c(F)c2[nH]1
InChIInChI=1S/C8H3BrClFN2O2/c9-4-3(10)1-2-6(5(4)11)12-8(15)13-7(2)14/h1H,(H2,12,13,14,15)
InChIKeyQFMMOOSPRNOBFO-UHFFFAOYSA-N
XLogP1.77
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione?
The IUPAC name of 7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione (CID 118010690) is 7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione is O=c1[nH]c(=O)c2cc(Cl)c(Br)c(F)c2[nH]1.
What is the InChIKey of 7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione?
The InChIKey is QFMMOOSPRNOBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrClFN2O2/c9-4-3(10)1-2-6(5(4)11)12-8(15)13-7(2)14/h1H,(H2,12,13,14,15).
What are the key properties of 7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione?
7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione has a molecular weight of 293.48 g/mol, XLogP of 1.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-chloro-8-fluoro-1H-quinazoline-2,4-dione is sourced from PubChem (CID 118010690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).