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

C11H11BrN2O2 — CID 114588912

IUPAC8-bromo-3-ethyl-6-methyl-1H-quinazoline-2,4-dione
SMILESCCn1c(=O)[nH]c2c(Br)cc(C)cc2c1=O
InChIInChI=1S/C11H11BrN2O2/c1-3-14-10(15)7-4-6(2)5-8(12)9(7)13-11(14)16/h4-5H,3H2,1-2H3,(H,13,16)
InChIKeyMBYNXWVZVMQZJK-UHFFFAOYSA-N
MW283.12 g/mol
LogP1.78
Rot. Bonds1

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

8-bromo-3-ethyl-6-methyl-1H-quinazoline-2,4-dione (PubChem CID 114588912) has the molecular formula C11H11BrN2O2 and a molecular weight of 283.12 g/mol. Its IUPAC name is 8-bromo-3-ethyl-6-methyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name8-bromo-3-ethyl-6-methyl-1H-quinazoline-2,4-dione
PubChem CID114588912
Molecular FormulaC11H11BrN2O2
Molecular Weight283.12 g/mol
Exact Mass282.00
IUPAC Name8-bromo-3-ethyl-6-methyl-1H-quinazoline-2,4-dione
SMILESCCn1c(=O)[nH]c2c(Br)cc(C)cc2c1=O
InChIInChI=1S/C11H11BrN2O2/c1-3-14-10(15)7-4-6(2)5-8(12)9(7)13-11(14)16/h4-5H,3H2,1-2H3,(H,13,16)
InChIKeyMBYNXWVZVMQZJK-UHFFFAOYSA-N
XLogP1.78
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-ethyl-6-methyl-1H-quinazoline-2,4-dione?
The IUPAC name of 8-bromo-3-ethyl-6-methyl-1H-quinazoline-2,4-dione (CID 114588912) is 8-bromo-3-ethyl-6-methyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 8-bromo-3-ethyl-6-methyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 8-bromo-3-ethyl-6-methyl-1H-quinazoline-2,4-dione is CCn1c(=O)[nH]c2c(Br)cc(C)cc2c1=O.
What is the InChIKey of 8-bromo-3-ethyl-6-methyl-1H-quinazoline-2,4-dione?
The InChIKey is MBYNXWVZVMQZJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2O2/c1-3-14-10(15)7-4-6(2)5-8(12)9(7)13-11(14)16/h4-5H,3H2,1-2H3,(H,13,16).
What are the key properties of 8-bromo-3-ethyl-6-methyl-1H-quinazoline-2,4-dione?
8-bromo-3-ethyl-6-methyl-1H-quinazoline-2,4-dione has a molecular weight of 283.12 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-ethyl-6-methyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 114588912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).