7-bromo-6H-quinazolin-4-one

C8H5BrN2O — CID 91025472

IUPAC7-bromo-6H-quinazolin-4-one
SMILESO=C1N=CN=C2C=C(Br)CC=C12
InChIInChI=1S/C8H5BrN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h2-4H,1H2
InChIKeyDTXRAJXMTDDROK-UHFFFAOYSA-N
MW225.04 g/mol
LogP1.60
Rot. Bonds

About 7-bromo-6H-quinazolin-4-one

7-bromo-6H-quinazolin-4-one (PubChem CID 91025472) has the molecular formula C8H5BrN2O and a molecular weight of 225.04 g/mol. Its IUPAC name is 7-bromo-6H-quinazolin-4-one.

Molecular Properties

Compound Name7-bromo-6H-quinazolin-4-one
PubChem CID91025472
Molecular FormulaC8H5BrN2O
Molecular Weight225.04 g/mol
Exact Mass223.96
IUPAC Name7-bromo-6H-quinazolin-4-one
SMILESO=C1N=CN=C2C=C(Br)CC=C12
InChIInChI=1S/C8H5BrN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h2-4H,1H2
InChIKeyDTXRAJXMTDDROK-UHFFFAOYSA-N
XLogP1.60
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.04
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-6H-quinazolin-4-one
CID 90958016
6-fluoro-6H-quinazolin-4-one
CID 71303964
8-bromo-6-fluoro-8H-quinazolin-4-one
CID 77250427
5-bromo-8-fluoro-8H-quinazolin-4-one
CID 138059215
6-bromo-5-fluoro-6H-quinazolin-4-one
CID 178189768
Pyrimido[4,5-g]quinazoline-4,9-dione
CID 20244493
7-chloro-6H-quinazolin-4-one
CID 91371041
6-bromo-8H-quinazolin-4-one
CID 91607100
6H-quinazolin-4-one
CID 165178648
8,8-Dibromoquinazolin-4-one
CID 174762623
6-bromo-6H-quinazolin-4-one
CID 71303925
6-bromo-7-methyl-4aH-quinazolin-4-one
CID 71303931

Frequently Asked Questions

What is the IUPAC name of 7-bromo-6H-quinazolin-4-one?
The IUPAC name of 7-bromo-6H-quinazolin-4-one (CID 91025472) is 7-bromo-6H-quinazolin-4-one.
What is the SMILES notation for 7-bromo-6H-quinazolin-4-one?
The canonical SMILES for 7-bromo-6H-quinazolin-4-one is O=C1N=CN=C2C=C(Br)CC=C12.
What is the InChIKey of 7-bromo-6H-quinazolin-4-one?
The InChIKey is DTXRAJXMTDDROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h2-4H,1H2.
What are the key properties of 7-bromo-6H-quinazolin-4-one?
7-bromo-6H-quinazolin-4-one has a molecular weight of 225.04 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6H-quinazolin-4-one is sourced from PubChem (CID 91025472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).