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

C12H6BrClN2S — CID 114590494

IUPAC7-bromo-4-chloro-2-thiophen-3-ylquinazoline
SMILESClc1nc(-c2ccsc2)nc2cc(Br)ccc12
InChIInChI=1S/C12H6BrClN2S/c13-8-1-2-9-10(5-8)15-12(16-11(9)14)7-3-4-17-6-7/h1-6H
InChIKeyPVKIFLKGCADDGV-UHFFFAOYSA-N
MW325.62 g/mol
LogP4.77
Rot. Bonds1

About 7-bromo-4-chloro-2-thiophen-3-ylquinazoline

7-bromo-4-chloro-2-thiophen-3-ylquinazoline (PubChem CID 114590494) has the molecular formula C12H6BrClN2S and a molecular weight of 325.62 g/mol. Its IUPAC name is 7-bromo-4-chloro-2-thiophen-3-ylquinazoline.

Molecular Properties

Compound Name7-bromo-4-chloro-2-thiophen-3-ylquinazoline
PubChem CID114590494
Molecular FormulaC12H6BrClN2S
Molecular Weight325.62 g/mol
Exact Mass323.91
IUPAC Name7-bromo-4-chloro-2-thiophen-3-ylquinazoline
SMILESClc1nc(-c2ccsc2)nc2cc(Br)ccc12
InChIInChI=1S/C12H6BrClN2S/c13-8-1-2-9-10(5-8)15-12(16-11(9)14)7-3-4-17-6-7/h1-6H
InChIKeyPVKIFLKGCADDGV-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
7-bromo-4-chloro-2-(4-fluorophenyl)quinazoline
CID 114590501
4-(7-bromo-4-chloroquinazolin-2-yl)-N,N-dimethylaniline
CID 114590522
7-bromo-4-chloro-2-(2,5-dichlorothiophen-3-yl)quinazoline
CID 114021122
8-bromo-4-chloro-2-thiophen-3-ylquinazoline
CID 114590763
4-chloro-2-thiophen-3-ylthieno[3,2-d]pyrimidine
CID 130535740
2-(4-bromophenyl)-4-chloro-7-fluoroquinazoline
CID 53249844
2-(1-benzothiophen-3-yl)-7-bromo-4-chloroquinazoline
CID 114590525
7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline
CID 114590534
7-bromo-4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline
CID 114590495
4-chloro-6-pyrrolidin-1-yl-2-thiophen-3-ylquinazoline
CID 114591349
7-bromo-4-chloro-2-(3-fluoro-4-methoxyphenyl)quinazoline
CID 114590509

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-2-thiophen-3-ylquinazoline?
The IUPAC name of 7-bromo-4-chloro-2-thiophen-3-ylquinazoline (CID 114590494) is 7-bromo-4-chloro-2-thiophen-3-ylquinazoline.
What is the SMILES notation for 7-bromo-4-chloro-2-thiophen-3-ylquinazoline?
The canonical SMILES for 7-bromo-4-chloro-2-thiophen-3-ylquinazoline is Clc1nc(-c2ccsc2)nc2cc(Br)ccc12.
What is the InChIKey of 7-bromo-4-chloro-2-thiophen-3-ylquinazoline?
The InChIKey is PVKIFLKGCADDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClN2S/c13-8-1-2-9-10(5-8)15-12(16-11(9)14)7-3-4-17-6-7/h1-6H.
What are the key properties of 7-bromo-4-chloro-2-thiophen-3-ylquinazoline?
7-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 7-bromo-4-chloro-2-thiophen-3-ylquinazoline is sourced from PubChem (CID 114590494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).