2-(5-bromofuran-2-yl)-3H-quinazolin-4-one

C12H7BrN2O2 — CID 137210768

IUPAC2-(5-bromofuran-2-yl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(Br)o2)nc2ccccc12
InChIInChI=1S/C12H7BrN2O2/c13-10-6-5-9(17-10)11-14-8-4-2-1-3-7(8)12(16)15-11/h1-6H,(H,14,15,16)
InChIKeyGGRKYDYNJNBUAN-UHFFFAOYSA-N
MW291.10 g/mol
LogP2.95
Rot. Bonds1

About 2-(5-bromofuran-2-yl)-3H-quinazolin-4-one

2-(5-bromofuran-2-yl)-3H-quinazolin-4-one (PubChem CID 137210768) has the molecular formula C12H7BrN2O2 and a molecular weight of 291.10 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-3H-quinazolin-4-one
PubChem CID137210768
Molecular FormulaC12H7BrN2O2
Molecular Weight291.10 g/mol
Exact Mass289.97
IUPAC Name2-(5-bromofuran-2-yl)-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2ccc(Br)o2)nc2ccccc12
InChIInChI=1S/C12H7BrN2O2/c13-10-6-5-9(17-10)11-14-8-4-2-1-3-7(8)12(16)15-11/h1-6H,(H,14,15,16)
InChIKeyGGRKYDYNJNBUAN-UHFFFAOYSA-N
XLogP2.95
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.10
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-3H-quinazolin-4-one?
The IUPAC name of 2-(5-bromofuran-2-yl)-3H-quinazolin-4-one (CID 137210768) is 2-(5-bromofuran-2-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-3H-quinazolin-4-one?
The canonical SMILES for 2-(5-bromofuran-2-yl)-3H-quinazolin-4-one is O=c1[nH]c(-c2ccc(Br)o2)nc2ccccc12.
What is the InChIKey of 2-(5-bromofuran-2-yl)-3H-quinazolin-4-one?
The InChIKey is GGRKYDYNJNBUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2O2/c13-10-6-5-9(17-10)11-14-8-4-2-1-3-7(8)12(16)15-11/h1-6H,(H,14,15,16).
What are the key properties of 2-(5-bromofuran-2-yl)-3H-quinazolin-4-one?
2-(5-bromofuran-2-yl)-3H-quinazolin-4-one has a molecular weight of 291.10 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 137210768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).