6-bromo-5-chloro-1H-quinazoline-2,4-dione

C8H4BrClN2O2 — CID 19604402

IUPAC6-bromo-5-chloro-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2c(Cl)c(Br)ccc2[nH]1
InChIInChI=1S/C8H4BrClN2O2/c9-3-1-2-4-5(6(3)10)7(13)12-8(14)11-4/h1-2H,(H2,11,12,13,14)
InChIKeyLHLLUCHQPRQWGS-UHFFFAOYSA-N
MW275.49 g/mol
LogP1.63
Rot. Bonds

About 6-bromo-5-chloro-1H-quinazoline-2,4-dione

6-bromo-5-chloro-1H-quinazoline-2,4-dione (PubChem CID 19604402) has the molecular formula C8H4BrClN2O2 and a molecular weight of 275.49 g/mol. Its IUPAC name is 6-bromo-5-chloro-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name6-bromo-5-chloro-1H-quinazoline-2,4-dione
PubChem CID19604402
Molecular FormulaC8H4BrClN2O2
Molecular Weight275.49 g/mol
Exact Mass273.91
IUPAC Name6-bromo-5-chloro-1H-quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)c2c(Cl)c(Br)ccc2[nH]1
InChIInChI=1S/C8H4BrClN2O2/c9-3-1-2-4-5(6(3)10)7(13)12-8(14)11-4/h1-2H,(H2,11,12,13,14)
InChIKeyLHLLUCHQPRQWGS-UHFFFAOYSA-N
XLogP1.63
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.49
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-chloro-1H-quinazoline-2,4-dione?
The IUPAC name of 6-bromo-5-chloro-1H-quinazoline-2,4-dione (CID 19604402) is 6-bromo-5-chloro-1H-quinazoline-2,4-dione.
What is the SMILES notation for 6-bromo-5-chloro-1H-quinazoline-2,4-dione?
The canonical SMILES for 6-bromo-5-chloro-1H-quinazoline-2,4-dione is O=c1[nH]c(=O)c2c(Cl)c(Br)ccc2[nH]1.
What is the InChIKey of 6-bromo-5-chloro-1H-quinazoline-2,4-dione?
The InChIKey is LHLLUCHQPRQWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2O2/c9-3-1-2-4-5(6(3)10)7(13)12-8(14)11-4/h1-2H,(H2,11,12,13,14).
What are the key properties of 6-bromo-5-chloro-1H-quinazoline-2,4-dione?
6-bromo-5-chloro-1H-quinazoline-2,4-dione has a molecular weight of 275.49 g/mol, XLogP of 1.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-chloro-1H-quinazoline-2,4-dione is sourced from PubChem (CID 19604402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).