2-(4-bromophenyl)quinazoline

C28H18Br2N4 — CID 139094686

IUPAC2-(4-bromophenyl)quinazoline
SMILESBrc1ccc(-c2ncc3ccccc3n2)cc1.Brc1ccc(-c2ncc3ccccc3n2)cc1
InChIInChI=1S/2C14H9BrN2/c2*15-12-7-5-10(6-8-12)14-16-9-11-3-1-2-4-13(11)17-14/h2*1-9H
InChIKeyBYEDTRDVRKLVIL-UHFFFAOYSA-N
MW570.29 g/mol
LogP8.12
Rot. Bonds2

About 2-(4-bromophenyl)quinazoline

2-(4-bromophenyl)quinazoline (PubChem CID 139094686) has the molecular formula C28H18Br2N4 and a molecular weight of 570.29 g/mol. Its IUPAC name is 2-(4-bromophenyl)quinazoline.

Molecular Properties

Compound Name2-(4-bromophenyl)quinazoline
PubChem CID139094686
Molecular FormulaC28H18Br2N4
Molecular Weight570.29 g/mol
Exact Mass567.99
IUPAC Name2-(4-bromophenyl)quinazoline
SMILESBrc1ccc(-c2ncc3ccccc3n2)cc1.Brc1ccc(-c2ncc3ccccc3n2)cc1
InChIInChI=1S/2C14H9BrN2/c2*15-12-7-5-10(6-8-12)14-16-9-11-3-1-2-4-13(11)17-14/h2*1-9H
InChIKeyBYEDTRDVRKLVIL-UHFFFAOYSA-N
XLogP8.12
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.29
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)quinazoline?
The IUPAC name of 2-(4-bromophenyl)quinazoline (CID 139094686) is 2-(4-bromophenyl)quinazoline.
What is the SMILES notation for 2-(4-bromophenyl)quinazoline?
The canonical SMILES for 2-(4-bromophenyl)quinazoline is Brc1ccc(-c2ncc3ccccc3n2)cc1.Brc1ccc(-c2ncc3ccccc3n2)cc1.
What is the InChIKey of 2-(4-bromophenyl)quinazoline?
The InChIKey is BYEDTRDVRKLVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H9BrN2/c2*15-12-7-5-10(6-8-12)14-16-9-11-3-1-2-4-13(11)17-14/h2*1-9H.
What are the key properties of 2-(4-bromophenyl)quinazoline?
2-(4-bromophenyl)quinazoline has a molecular weight of 570.29 g/mol, XLogP of 8.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)quinazoline is sourced from PubChem (CID 139094686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).