4-chloro-2-(2,5-dibromothiophen-3-yl)-7-fluoroquinazoline

C12H4Br2ClFN2S — CID 107960345

IUPAC4-chloro-2-(2,5-dibromothiophen-3-yl)-7-fluoroquinazoline
SMILESFc1ccc2c(Cl)nc(-c3cc(Br)sc3Br)nc2c1
InChIInChI=1S/C12H4Br2ClFN2S/c13-9-4-7(10(14)19-9)12-17-8-3-5(16)1-2-6(8)11(15)18-12/h1-4H
InChIKeyIBRZGEKZWAOOOH-UHFFFAOYSA-N
MW422.50 g/mol
LogP5.68
Rot. Bonds1

About 4-chloro-2-(2,5-dibromothiophen-3-yl)-7-fluoroquinazoline

4-chloro-2-(2,5-dibromothiophen-3-yl)-7-fluoroquinazoline (PubChem CID 107960345) has the molecular formula C12H4Br2ClFN2S and a molecular weight of 422.50 g/mol. Its IUPAC name is 4-chloro-2-(2,5-dibromothiophen-3-yl)-7-fluoroquinazoline.

Molecular Properties

Compound Name4-chloro-2-(2,5-dibromothiophen-3-yl)-7-fluoroquinazoline
PubChem CID107960345
Molecular FormulaC12H4Br2ClFN2S
Molecular Weight422.50 g/mol
Exact Mass419.81
IUPAC Name4-chloro-2-(2,5-dibromothiophen-3-yl)-7-fluoroquinazoline
SMILESFc1ccc2c(Cl)nc(-c3cc(Br)sc3Br)nc2c1
InChIInChI=1S/C12H4Br2ClFN2S/c13-9-4-7(10(14)19-9)12-17-8-3-5(16)1-2-6(8)11(15)18-12/h1-4H
InChIKeyIBRZGEKZWAOOOH-UHFFFAOYSA-N
XLogP5.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.50
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-7-fluoro-2-(2-methylphenyl)quinazoline
CID 63083992
2-(4-bromophenyl)-4-chloro-7-fluoroquinazoline
CID 53249844
4-chloro-2-(2,5-dibromothiophen-3-yl)-6-nitroquinazoline
CID 107960357
4-chloro-2-(4-chlorophenyl)-7-fluoroquinazoline
CID 53407921
4-chloro-7-fluoro-2-(2-methylsulfanylphenyl)quinazoline
CID 79215695
5-bromo-4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoroquinazoline
CID 107960438
4-chloro-2-(2,5-dibromothiophen-3-yl)-5-methylquinazoline
CID 107960337
7-bromo-4-chloro-2-(4-fluorophenyl)quinazoline
CID 114590501
4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoro-5-methylquinazoline
CID 107960388
7-bromo-4-chloro-2-(2,5-dichlorothiophen-3-yl)quinazoline
CID 114021122
4-chloro-7-fluoro-2-(5-nitrosofuran-2-yl)quinazoline
CID 89267269
4-chloro-6-fluoro-2-(5-fluoro-2-methylphenyl)quinazoline
CID 63085513

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,5-dibromothiophen-3-yl)-7-fluoroquinazoline?
The IUPAC name of 4-chloro-2-(2,5-dibromothiophen-3-yl)-7-fluoroquinazoline (CID 107960345) is 4-chloro-2-(2,5-dibromothiophen-3-yl)-7-fluoroquinazoline.
What is the SMILES notation for 4-chloro-2-(2,5-dibromothiophen-3-yl)-7-fluoroquinazoline?
The canonical SMILES for 4-chloro-2-(2,5-dibromothiophen-3-yl)-7-fluoroquinazoline is Fc1ccc2c(Cl)nc(-c3cc(Br)sc3Br)nc2c1.
What is the InChIKey of 4-chloro-2-(2,5-dibromothiophen-3-yl)-7-fluoroquinazoline?
The InChIKey is IBRZGEKZWAOOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Br2ClFN2S/c13-9-4-7(10(14)19-9)12-17-8-3-5(16)1-2-6(8)11(15)18-12/h1-4H.
What are the key properties of 4-chloro-2-(2,5-dibromothiophen-3-yl)-7-fluoroquinazoline?
4-chloro-2-(2,5-dibromothiophen-3-yl)-7-fluoroquinazoline has a molecular weight of 422.50 g/mol, XLogP of 5.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,5-dibromothiophen-3-yl)-7-fluoroquinazoline is sourced from PubChem (CID 107960345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).