2-(1-benzothiophen-3-yl)-7-bromo-4-chloroquinazoline

C16H8BrClN2S — CID 114590525

IUPAC2-(1-benzothiophen-3-yl)-7-bromo-4-chloroquinazoline
SMILESClc1nc(-c2csc3ccccc23)nc2cc(Br)ccc12
InChIInChI=1S/C16H8BrClN2S/c17-9-5-6-11-13(7-9)19-16(20-15(11)18)12-8-21-14-4-2-1-3-10(12)14/h1-8H
InChIKeyCIMMQSMGFGCUQJ-UHFFFAOYSA-N
MW375.68 g/mol
LogP5.93
Rot. Bonds1

About 2-(1-benzothiophen-3-yl)-7-bromo-4-chloroquinazoline

2-(1-benzothiophen-3-yl)-7-bromo-4-chloroquinazoline (PubChem CID 114590525) has the molecular formula C16H8BrClN2S and a molecular weight of 375.68 g/mol. Its IUPAC name is 2-(1-benzothiophen-3-yl)-7-bromo-4-chloroquinazoline.

Molecular Properties

Compound Name2-(1-benzothiophen-3-yl)-7-bromo-4-chloroquinazoline
PubChem CID114590525
Molecular FormulaC16H8BrClN2S
Molecular Weight375.68 g/mol
Exact Mass373.93
IUPAC Name2-(1-benzothiophen-3-yl)-7-bromo-4-chloroquinazoline
SMILESClc1nc(-c2csc3ccccc23)nc2cc(Br)ccc12
InChIInChI=1S/C16H8BrClN2S/c17-9-5-6-11-13(7-9)19-16(20-15(11)18)12-8-21-14-4-2-1-3-10(12)14/h1-8H
InChIKeyCIMMQSMGFGCUQJ-UHFFFAOYSA-N
XLogP5.93
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.68
LogP ≤ 55.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1-benzothiophen-3-yl)-7-bromo-4-chloroquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-benzothiophen-3-yl)-4,6-dichloro-5-fluoropyrimidine
CID 80550933
2-(5-bromo-2-chlorophenyl)-4-chloroquinazoline
CID 43378899
7-bromo-4-chloro-2-(2,5-dichlorothiophen-3-yl)quinazoline
CID 114021122
7-bromo-4-chloro-2-(2-ethylphenyl)quinazoline
CID 114590545
7-bromo-4-chloro-2-thiophen-3-ylquinazoline
CID 114590494
7-bromo-4-chloro-2-(3-chloro-2-methylphenyl)quinazoline
CID 107096293
2-(1-benzothiophen-3-yl)-4-chloro-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 62698471
2-(1-benzothiophen-3-yl)-4-chloro-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63405510
3-(1-benzothiophen-3-yl)-5-chloro-1,2,4-oxadiazole
CID 62698853
7-bromo-4-chloro-2-(4-fluorophenyl)quinazoline
CID 114590501
2-(1-benzothiophen-3-yl)-5-bromo-6-methylpyrimidin-4-amine
CID 66303207
2-(1-benzothiophen-3-yl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine
CID 66314227

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzothiophen-3-yl)-7-bromo-4-chloroquinazoline?
The IUPAC name of 2-(1-benzothiophen-3-yl)-7-bromo-4-chloroquinazoline (CID 114590525) is 2-(1-benzothiophen-3-yl)-7-bromo-4-chloroquinazoline.
What is the SMILES notation for 2-(1-benzothiophen-3-yl)-7-bromo-4-chloroquinazoline?
The canonical SMILES for 2-(1-benzothiophen-3-yl)-7-bromo-4-chloroquinazoline is Clc1nc(-c2csc3ccccc23)nc2cc(Br)ccc12.
What is the InChIKey of 2-(1-benzothiophen-3-yl)-7-bromo-4-chloroquinazoline?
The InChIKey is CIMMQSMGFGCUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8BrClN2S/c17-9-5-6-11-13(7-9)19-16(20-15(11)18)12-8-21-14-4-2-1-3-10(12)14/h1-8H.
What are the key properties of 2-(1-benzothiophen-3-yl)-7-bromo-4-chloroquinazoline?
2-(1-benzothiophen-3-yl)-7-bromo-4-chloroquinazoline has a molecular weight of 375.68 g/mol, XLogP of 5.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzothiophen-3-yl)-7-bromo-4-chloroquinazoline is sourced from PubChem (CID 114590525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).