4-(6-bromoquinazolin-4-yl)morpholine

C12H12BrN3O — CID 720652

IUPAC4-(6-bromoquinazolin-4-yl)morpholine
SMILESBrc1ccc2ncnc(N3CCOCC3)c2c1
InChIInChI=1S/C12H12BrN3O/c13-9-1-2-11-10(7-9)12(15-8-14-11)16-3-5-17-6-4-16/h1-2,7-8H,3-6H2
InChIKeyHQJHKFWXUFPBHU-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.23
Rot. Bonds1

About 4-(6-bromoquinazolin-4-yl)morpholine

4-(6-bromoquinazolin-4-yl)morpholine (PubChem CID 720652) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 4-(6-bromoquinazolin-4-yl)morpholine.

Molecular Properties

Compound Name4-(6-bromoquinazolin-4-yl)morpholine
PubChem CID720652
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name4-(6-bromoquinazolin-4-yl)morpholine
SMILESBrc1ccc2ncnc(N3CCOCC3)c2c1
InChIInChI=1S/C12H12BrN3O/c13-9-1-2-11-10(7-9)12(15-8-14-11)16-3-5-17-6-4-16/h1-2,7-8H,3-6H2
InChIKeyHQJHKFWXUFPBHU-UHFFFAOYSA-N
XLogP2.23
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromoquinazolin-4-yl)morpholine?
The IUPAC name of 4-(6-bromoquinazolin-4-yl)morpholine (CID 720652) is 4-(6-bromoquinazolin-4-yl)morpholine.
What is the SMILES notation for 4-(6-bromoquinazolin-4-yl)morpholine?
The canonical SMILES for 4-(6-bromoquinazolin-4-yl)morpholine is Brc1ccc2ncnc(N3CCOCC3)c2c1.
What is the InChIKey of 4-(6-bromoquinazolin-4-yl)morpholine?
The InChIKey is HQJHKFWXUFPBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c13-9-1-2-11-10(7-9)12(15-8-14-11)16-3-5-17-6-4-16/h1-2,7-8H,3-6H2.
What are the key properties of 4-(6-bromoquinazolin-4-yl)morpholine?
4-(6-bromoquinazolin-4-yl)morpholine has a molecular weight of 294.15 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromoquinazolin-4-yl)morpholine is sourced from PubChem (CID 720652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).