7-bromo-4-(7-bromoquinazolin-4-yl)oxyquinazoline

C16H8Br2N4O — CID 70383438

IUPAC7-bromo-4-(7-bromoquinazolin-4-yl)oxyquinazoline
SMILESBrc1ccc2c(Oc3ncnc4cc(Br)ccc34)ncnc2c1
InChIInChI=1S/C16H8Br2N4O/c17-9-1-3-11-13(5-9)19-7-21-15(11)23-16-12-4-2-10(18)6-14(12)20-8-22-16/h1-8H
InChIKeyVOEAGNSIJJIMTO-UHFFFAOYSA-N
MW432.08 g/mol
LogP4.89
Rot. Bonds2

About 7-bromo-4-(7-bromoquinazolin-4-yl)oxyquinazoline

7-bromo-4-(7-bromoquinazolin-4-yl)oxyquinazoline (PubChem CID 70383438) has the molecular formula C16H8Br2N4O and a molecular weight of 432.08 g/mol. Its IUPAC name is 7-bromo-4-(7-bromoquinazolin-4-yl)oxyquinazoline.

Molecular Properties

Compound Name7-bromo-4-(7-bromoquinazolin-4-yl)oxyquinazoline
PubChem CID70383438
Molecular FormulaC16H8Br2N4O
Molecular Weight432.08 g/mol
Exact Mass429.91
IUPAC Name7-bromo-4-(7-bromoquinazolin-4-yl)oxyquinazoline
SMILESBrc1ccc2c(Oc3ncnc4cc(Br)ccc34)ncnc2c1
InChIInChI=1S/C16H8Br2N4O/c17-9-1-3-11-13(5-9)19-7-21-15(11)23-16-12-4-2-10(18)6-14(12)20-8-22-16/h1-8H
InChIKeyVOEAGNSIJJIMTO-UHFFFAOYSA-N
XLogP4.89
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.08
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-(7-bromoquinazolin-4-yl)oxyquinazoline?
The IUPAC name of 7-bromo-4-(7-bromoquinazolin-4-yl)oxyquinazoline (CID 70383438) is 7-bromo-4-(7-bromoquinazolin-4-yl)oxyquinazoline.
What is the SMILES notation for 7-bromo-4-(7-bromoquinazolin-4-yl)oxyquinazoline?
The canonical SMILES for 7-bromo-4-(7-bromoquinazolin-4-yl)oxyquinazoline is Brc1ccc2c(Oc3ncnc4cc(Br)ccc34)ncnc2c1.
What is the InChIKey of 7-bromo-4-(7-bromoquinazolin-4-yl)oxyquinazoline?
The InChIKey is VOEAGNSIJJIMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Br2N4O/c17-9-1-3-11-13(5-9)19-7-21-15(11)23-16-12-4-2-10(18)6-14(12)20-8-22-16/h1-8H.
What are the key properties of 7-bromo-4-(7-bromoquinazolin-4-yl)oxyquinazoline?
7-bromo-4-(7-bromoquinazolin-4-yl)oxyquinazoline has a molecular weight of 432.08 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-(7-bromoquinazolin-4-yl)oxyquinazoline is sourced from PubChem (CID 70383438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).