2-(5-bromothiophen-2-yl)-4-chloroquinazoline

C12H6BrClN2S — CID 164576950

IUPAC2-(5-bromothiophen-2-yl)-4-chloroquinazoline
SMILESClc1nc(-c2ccc(Br)s2)nc2ccccc12
InChIInChI=1S/C12H6BrClN2S/c13-10-6-5-9(17-10)12-15-8-4-2-1-3-7(8)11(14)16-12/h1-6H
InChIKeyUVLCVHOJIBHJEK-UHFFFAOYSA-N
MW325.62 g/mol
LogP4.77
Rot. Bonds1

About 2-(5-bromothiophen-2-yl)-4-chloroquinazoline

2-(5-bromothiophen-2-yl)-4-chloroquinazoline (PubChem CID 164576950) has the molecular formula C12H6BrClN2S and a molecular weight of 325.62 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-4-chloroquinazoline.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-4-chloroquinazoline
PubChem CID164576950
Molecular FormulaC12H6BrClN2S
Molecular Weight325.62 g/mol
Exact Mass323.91
IUPAC Name2-(5-bromothiophen-2-yl)-4-chloroquinazoline
SMILESClc1nc(-c2ccc(Br)s2)nc2ccccc12
InChIInChI=1S/C12H6BrClN2S/c13-10-6-5-9(17-10)12-15-8-4-2-1-3-7(8)11(14)16-12/h1-6H
InChIKeyUVLCVHOJIBHJEK-UHFFFAOYSA-N
XLogP4.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.62
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-4-chloroquinazoline?
The IUPAC name of 2-(5-bromothiophen-2-yl)-4-chloroquinazoline (CID 164576950) is 2-(5-bromothiophen-2-yl)-4-chloroquinazoline.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-4-chloroquinazoline?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-4-chloroquinazoline is Clc1nc(-c2ccc(Br)s2)nc2ccccc12.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-4-chloroquinazoline?
The InChIKey is UVLCVHOJIBHJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClN2S/c13-10-6-5-9(17-10)12-15-8-4-2-1-3-7(8)11(14)16-12/h1-6H.
What are the key properties of 2-(5-bromothiophen-2-yl)-4-chloroquinazoline?
2-(5-bromothiophen-2-yl)-4-chloroquinazoline has a molecular weight of 325.62 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-4-chloroquinazoline is sourced from PubChem (CID 164576950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).