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

C9H7BrN2O2 — CID 3881862

IUPAC6-bromo-3-methyl-1H-quinazoline-2,4-dione
SMILESCn1c(=O)[nH]c2ccc(Br)cc2c1=O
InChIInChI=1S/C9H7BrN2O2/c1-12-8(13)6-4-5(10)2-3-7(6)11-9(12)14/h2-4H,1H3,(H,11,14)
InChIKeyHCSVIQLFCWCLNB-UHFFFAOYSA-N
MW255.07 g/mol
LogP0.99
Rot. Bonds

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

6-bromo-3-methyl-1H-quinazoline-2,4-dione (PubChem CID 3881862) has the molecular formula C9H7BrN2O2 and a molecular weight of 255.07 g/mol. Its IUPAC name is 6-bromo-3-methyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-bromo-3-methyl-1H-quinazoline-2,4-dione
PubChem CID3881862
Molecular FormulaC9H7BrN2O2
Molecular Weight255.07 g/mol
Exact Mass253.97
IUPAC Name6-bromo-3-methyl-1H-quinazoline-2,4-dione
SMILESCn1c(=O)[nH]c2ccc(Br)cc2c1=O
InChIInChI=1S/C9H7BrN2O2/c1-12-8(13)6-4-5(10)2-3-7(6)11-9(12)14/h2-4H,1H3,(H,11,14)
InChIKeyHCSVIQLFCWCLNB-UHFFFAOYSA-N
XLogP0.99
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-1H-quinazoline-2,4-dione?
The IUPAC name of 6-bromo-3-methyl-1H-quinazoline-2,4-dione (CID 3881862) is 6-bromo-3-methyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-bromo-3-methyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-bromo-3-methyl-1H-quinazoline-2,4-dione is Cn1c(=O)[nH]c2ccc(Br)cc2c1=O.
What is the InChIKey of 6-bromo-3-methyl-1H-quinazoline-2,4-dione?
The InChIKey is HCSVIQLFCWCLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O2/c1-12-8(13)6-4-5(10)2-3-7(6)11-9(12)14/h2-4H,1H3,(H,11,14).
What are the key properties of 6-bromo-3-methyl-1H-quinazoline-2,4-dione?
6-bromo-3-methyl-1H-quinazoline-2,4-dione has a molecular weight of 255.07 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 3881862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).