7-bromo-2-pyrazin-2-yl-3H-quinazolin-4-one

C12H7BrN4O — CID 136999264

IUPAC7-bromo-2-pyrazin-2-yl-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cnccn2)nc2cc(Br)ccc12
InChIInChI=1S/C12H7BrN4O/c13-7-1-2-8-9(5-7)16-11(17-12(8)18)10-6-14-3-4-15-10/h1-6H,(H,16,17,18)
InChIKeyICIQXDAVLPFHEY-UHFFFAOYSA-N
MW303.12 g/mol
LogP2.14
Rot. Bonds1

About 7-bromo-2-pyrazin-2-yl-3H-quinazolin-4-one

7-bromo-2-pyrazin-2-yl-3H-quinazolin-4-one (PubChem CID 136999264) has the molecular formula C12H7BrN4O and a molecular weight of 303.12 g/mol. Its IUPAC name is 7-bromo-2-pyrazin-2-yl-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-bromo-2-pyrazin-2-yl-3H-quinazolin-4-one
PubChem CID136999264
Molecular FormulaC12H7BrN4O
Molecular Weight303.12 g/mol
Exact Mass301.98
IUPAC Name7-bromo-2-pyrazin-2-yl-3H-quinazolin-4-one
SMILESO=c1[nH]c(-c2cnccn2)nc2cc(Br)ccc12
InChIInChI=1S/C12H7BrN4O/c13-7-1-2-8-9(5-7)16-11(17-12(8)18)10-6-14-3-4-15-10/h1-6H,(H,16,17,18)
InChIKeyICIQXDAVLPFHEY-UHFFFAOYSA-N
XLogP2.14
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.12
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-pyrazin-2-yl-3H-quinazolin-4-one?
The IUPAC name of 7-bromo-2-pyrazin-2-yl-3H-quinazolin-4-one (CID 136999264) is 7-bromo-2-pyrazin-2-yl-3H-quinazolin-4-one.
What is the SMILES notation for 7-bromo-2-pyrazin-2-yl-3H-quinazolin-4-one?
The canonical SMILES for 7-bromo-2-pyrazin-2-yl-3H-quinazolin-4-one is O=c1[nH]c(-c2cnccn2)nc2cc(Br)ccc12.
What is the InChIKey of 7-bromo-2-pyrazin-2-yl-3H-quinazolin-4-one?
The InChIKey is ICIQXDAVLPFHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN4O/c13-7-1-2-8-9(5-7)16-11(17-12(8)18)10-6-14-3-4-15-10/h1-6H,(H,16,17,18).
What are the key properties of 7-bromo-2-pyrazin-2-yl-3H-quinazolin-4-one?
7-bromo-2-pyrazin-2-yl-3H-quinazolin-4-one has a molecular weight of 303.12 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-pyrazin-2-yl-3H-quinazolin-4-one is sourced from PubChem (CID 136999264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).