8-bromo-6-chloro-3-methyl-1H-quinazoline-2,4-dione

C9H6BrClN2O2 — CID 169212616

IUPAC8-bromo-6-chloro-3-methyl-1H-quinazoline-2,4-dione
SMILESCn1c(=O)[nH]c2c(Br)cc(Cl)cc2c1=O
InChIInChI=1S/C9H6BrClN2O2/c1-13-8(14)5-2-4(11)3-6(10)7(5)12-9(13)15/h2-3H,1H3,(H,12,15)
InChIKeyFZACXTZOCXIXHN-UHFFFAOYSA-N
MW289.52 g/mol
LogP1.64
Rot. Bonds

About 8-bromo-6-chloro-3-methyl-1H-quinazoline-2,4-dione

8-bromo-6-chloro-3-methyl-1H-quinazoline-2,4-dione (PubChem CID 169212616) has the molecular formula C9H6BrClN2O2 and a molecular weight of 289.52 g/mol. Its IUPAC name is 8-bromo-6-chloro-3-methyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name8-bromo-6-chloro-3-methyl-1H-quinazoline-2,4-dione
PubChem CID169212616
Molecular FormulaC9H6BrClN2O2
Molecular Weight289.52 g/mol
Exact Mass287.93
IUPAC Name8-bromo-6-chloro-3-methyl-1H-quinazoline-2,4-dione
SMILESCn1c(=O)[nH]c2c(Br)cc(Cl)cc2c1=O
InChIInChI=1S/C9H6BrClN2O2/c1-13-8(14)5-2-4(11)3-6(10)7(5)12-9(13)15/h2-3H,1H3,(H,12,15)
InChIKeyFZACXTZOCXIXHN-UHFFFAOYSA-N
XLogP1.64
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.52
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-chloro-3-methyl-1H-quinazoline-2,4-dione?
The IUPAC name of 8-bromo-6-chloro-3-methyl-1H-quinazoline-2,4-dione (CID 169212616) is 8-bromo-6-chloro-3-methyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 8-bromo-6-chloro-3-methyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 8-bromo-6-chloro-3-methyl-1H-quinazoline-2,4-dione is Cn1c(=O)[nH]c2c(Br)cc(Cl)cc2c1=O.
What is the InChIKey of 8-bromo-6-chloro-3-methyl-1H-quinazoline-2,4-dione?
The InChIKey is FZACXTZOCXIXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrClN2O2/c1-13-8(14)5-2-4(11)3-6(10)7(5)12-9(13)15/h2-3H,1H3,(H,12,15).
What are the key properties of 8-bromo-6-chloro-3-methyl-1H-quinazoline-2,4-dione?
8-bromo-6-chloro-3-methyl-1H-quinazoline-2,4-dione has a molecular weight of 289.52 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-chloro-3-methyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 169212616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).