7-bromo-4-chloro-2-(2,5-dichlorothiophen-3-yl)quinazoline

C12H4BrCl3N2S — CID 114021122

IUPAC7-bromo-4-chloro-2-(2,5-dichlorothiophen-3-yl)quinazoline
SMILESClc1cc(-c2nc(Cl)c3ccc(Br)cc3n2)c(Cl)s1
InChIInChI=1S/C12H4BrCl3N2S/c13-5-1-2-6-8(3-5)17-12(18-10(6)15)7-4-9(14)19-11(7)16/h1-4H
InChIKeyDYLWZFGHXFRXHH-UHFFFAOYSA-N
MW394.51 g/mol
LogP6.08
Rot. Bonds1

About 7-bromo-4-chloro-2-(2,5-dichlorothiophen-3-yl)quinazoline

7-bromo-4-chloro-2-(2,5-dichlorothiophen-3-yl)quinazoline (PubChem CID 114021122) has the molecular formula C12H4BrCl3N2S and a molecular weight of 394.51 g/mol. Its IUPAC name is 7-bromo-4-chloro-2-(2,5-dichlorothiophen-3-yl)quinazoline.

Molecular Properties

Compound Name7-bromo-4-chloro-2-(2,5-dichlorothiophen-3-yl)quinazoline
PubChem CID114021122
Molecular FormulaC12H4BrCl3N2S
Molecular Weight394.51 g/mol
Exact Mass391.83
IUPAC Name7-bromo-4-chloro-2-(2,5-dichlorothiophen-3-yl)quinazoline
SMILESClc1cc(-c2nc(Cl)c3ccc(Br)cc3n2)c(Cl)s1
InChIInChI=1S/C12H4BrCl3N2S/c13-5-1-2-6-8(3-5)17-12(18-10(6)15)7-4-9(14)19-11(7)16/h1-4H
InChIKeyDYLWZFGHXFRXHH-UHFFFAOYSA-N
XLogP6.08
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.51
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-benzothiophen-3-yl)-7-bromo-4-chloroquinazoline
CID 114590525
7-bromo-4-chloro-2-thiophen-3-ylquinazoline
CID 114590494
7-bromo-4-chloro-2-(3-chloro-2-methylphenyl)quinazoline
CID 107096293
7-bromo-4-chloro-2-(2-ethylphenyl)quinazoline
CID 114590545
7-bromo-4-chloro-2-(4-fluorophenyl)quinazoline
CID 114590501
2-(5-bromo-2-chlorophenyl)-4-chloroquinazoline
CID 43378899
7-bromo-4-chloro-2-ethylquinazoline
CID 53404536
7-bromo-4-chloro-2-(1,3-dihydro-2-benzofuran-5-yl)quinazoline
CID 114590495
4-(7-bromo-4-chloroquinazolin-2-yl)-N,N-dimethylaniline
CID 114590522
4-chloro-2-(2,5-dibromothiophen-3-yl)-7-fluoroquinazoline
CID 107960345
7-bromo-4-chloro-2-(2,3-dihydro-1-benzofuran-5-yl)quinazoline
CID 114590488
7-bromo-4-chloro-2-(3-methoxyphenyl)quinazoline
CID 114590534

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-2-(2,5-dichlorothiophen-3-yl)quinazoline?
The IUPAC name of 7-bromo-4-chloro-2-(2,5-dichlorothiophen-3-yl)quinazoline (CID 114021122) is 7-bromo-4-chloro-2-(2,5-dichlorothiophen-3-yl)quinazoline.
What is the SMILES notation for 7-bromo-4-chloro-2-(2,5-dichlorothiophen-3-yl)quinazoline?
The canonical SMILES for 7-bromo-4-chloro-2-(2,5-dichlorothiophen-3-yl)quinazoline is Clc1cc(-c2nc(Cl)c3ccc(Br)cc3n2)c(Cl)s1.
What is the InChIKey of 7-bromo-4-chloro-2-(2,5-dichlorothiophen-3-yl)quinazoline?
The InChIKey is DYLWZFGHXFRXHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4BrCl3N2S/c13-5-1-2-6-8(3-5)17-12(18-10(6)15)7-4-9(14)19-11(7)16/h1-4H.
What are the key properties of 7-bromo-4-chloro-2-(2,5-dichlorothiophen-3-yl)quinazoline?
7-bromo-4-chloro-2-(2,5-dichlorothiophen-3-yl)quinazoline has a molecular weight of 394.51 g/mol, XLogP of 6.08, 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-(2,5-dichlorothiophen-3-yl)quinazoline is sourced from PubChem (CID 114021122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).