2-(4-bromophenyl)-4-chloroquinazoline

C14H8BrClN2 — CID 899321

IUPAC2-(4-bromophenyl)-4-chloroquinazoline
SMILESClc1nc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C14H8BrClN2/c15-10-7-5-9(6-8-10)14-17-12-4-2-1-3-11(12)13(16)18-14/h1-8H
InChIKeyLWOVKRLBRZYBQV-UHFFFAOYSA-N
MW319.59 g/mol
LogP4.71
Rot. Bonds1

About 2-(4-bromophenyl)-4-chloroquinazoline

2-(4-bromophenyl)-4-chloroquinazoline (PubChem CID 899321) has the molecular formula C14H8BrClN2 and a molecular weight of 319.59 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-chloroquinazoline.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-chloroquinazoline
PubChem CID899321
Molecular FormulaC14H8BrClN2
Molecular Weight319.59 g/mol
Exact Mass317.96
IUPAC Name2-(4-bromophenyl)-4-chloroquinazoline
SMILESClc1nc(-c2ccc(Br)cc2)nc2ccccc12
InChIInChI=1S/C14H8BrClN2/c15-10-7-5-9(6-8-10)14-17-12-4-2-1-3-11(12)13(16)18-14/h1-8H
InChIKeyLWOVKRLBRZYBQV-UHFFFAOYSA-N
XLogP4.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.59
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-chloroquinazoline?
The IUPAC name of 2-(4-bromophenyl)-4-chloroquinazoline (CID 899321) is 2-(4-bromophenyl)-4-chloroquinazoline.
What is the SMILES notation for 2-(4-bromophenyl)-4-chloroquinazoline?
The canonical SMILES for 2-(4-bromophenyl)-4-chloroquinazoline is Clc1nc(-c2ccc(Br)cc2)nc2ccccc12.
What is the InChIKey of 2-(4-bromophenyl)-4-chloroquinazoline?
The InChIKey is LWOVKRLBRZYBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrClN2/c15-10-7-5-9(6-8-10)14-17-12-4-2-1-3-11(12)13(16)18-14/h1-8H.
What are the key properties of 2-(4-bromophenyl)-4-chloroquinazoline?
2-(4-bromophenyl)-4-chloroquinazoline has a molecular weight of 319.59 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-chloroquinazoline is sourced from PubChem (CID 899321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).