8-bromo-4-chloro-2-thiophen-3-ylquinazoline

C12H6BrClN2S — CID 114590763

IUPAC8-bromo-4-chloro-2-thiophen-3-ylquinazoline
SMILESClc1nc(-c2ccsc2)nc2c(Br)cccc12
InChIInChI=1S/C12H6BrClN2S/c13-9-3-1-2-8-10(9)15-12(16-11(8)14)7-4-5-17-6-7/h1-6H
InChIKeyVGWQQGOURVVXBP-UHFFFAOYSA-N
MW325.62 g/mol
LogP4.77
Rot. Bonds1

About 8-bromo-4-chloro-2-thiophen-3-ylquinazoline

8-bromo-4-chloro-2-thiophen-3-ylquinazoline (PubChem CID 114590763) has the molecular formula C12H6BrClN2S and a molecular weight of 325.62 g/mol. Its IUPAC name is 8-bromo-4-chloro-2-thiophen-3-ylquinazoline.

Molecular Properties

Compound Name8-bromo-4-chloro-2-thiophen-3-ylquinazoline
PubChem CID114590763
Molecular FormulaC12H6BrClN2S
Molecular Weight325.62 g/mol
Exact Mass323.91
IUPAC Name8-bromo-4-chloro-2-thiophen-3-ylquinazoline
SMILESClc1nc(-c2ccsc2)nc2c(Br)cccc12
InChIInChI=1S/C12H6BrClN2S/c13-9-3-1-2-8-10(9)15-12(16-11(8)14)7-4-5-17-6-7/h1-6H
InChIKeyVGWQQGOURVVXBP-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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Related Compounds

4-chloro-2-thiophen-3-ylquinazoline
CID 9291133
5-(2-bromophenyl)-4,6-dichloro-2-thiophen-3-ylpyrimidine
CID 79438940
7-bromo-4-chloro-2-thiophen-3-ylquinazoline
CID 114590494
4-(8-bromo-4-chloroquinazolin-2-yl)-2-methyl-1,3-thiazole
CID 114031072
8-bromo-4-chloro-2-(trifluoromethyl)quinazoline
CID 34176296
8-bromo-4-chloro-2-(2,4-difluorophenyl)quinazoline
CID 114590744
8-bromo-4-chloro-2-(1,1,2,2,2-pentafluoroethyl)quinazoline
CID 114590811
8-bromo-4-chloro-2-(difluoromethyl)quinazoline
CID 114590784
4-chloro-2-thiophen-3-ylthieno[3,2-d]pyrimidine
CID 130535740
4,6-dichloro-5-(4-fluorophenyl)-2-thiophen-3-ylpyrimidine
CID 79438292
6,8-dibromo-2-(5-bromothiophen-3-yl)-4-chloroquinazoline
CID 107960351
5,10-dibromo-2,3-di(thiophen-3-yl)benzo[g]quinoxaline
CID 70164555

Frequently Asked Questions

What is the IUPAC name of 8-bromo-4-chloro-2-thiophen-3-ylquinazoline?
The IUPAC name of 8-bromo-4-chloro-2-thiophen-3-ylquinazoline (CID 114590763) is 8-bromo-4-chloro-2-thiophen-3-ylquinazoline.
What is the SMILES notation for 8-bromo-4-chloro-2-thiophen-3-ylquinazoline?
The canonical SMILES for 8-bromo-4-chloro-2-thiophen-3-ylquinazoline is Clc1nc(-c2ccsc2)nc2c(Br)cccc12.
What is the InChIKey of 8-bromo-4-chloro-2-thiophen-3-ylquinazoline?
The InChIKey is VGWQQGOURVVXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClN2S/c13-9-3-1-2-8-10(9)15-12(16-11(8)14)7-4-5-17-6-7/h1-6H.
What are the key properties of 8-bromo-4-chloro-2-thiophen-3-ylquinazoline?
8-bromo-4-chloro-2-thiophen-3-ylquinazoline 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 8-bromo-4-chloro-2-thiophen-3-ylquinazoline is sourced from PubChem (CID 114590763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).