5-bromo-4-chloro-8-fluoro-2-(4-methylthiophen-3-yl)quinazoline

C13H7BrClFN2S — CID 114591139

IUPAC5-bromo-4-chloro-8-fluoro-2-(4-methylthiophen-3-yl)quinazoline
SMILESCc1cscc1-c1nc(Cl)c2c(Br)ccc(F)c2n1
InChIInChI=1S/C13H7BrClFN2S/c1-6-4-19-5-7(6)13-17-11-9(16)3-2-8(14)10(11)12(15)18-13/h2-5H,1H3
InChIKeyHOQYAYUTVBHBMU-UHFFFAOYSA-N
MW357.64 g/mol
LogP5.22
Rot. Bonds1

About 5-bromo-4-chloro-8-fluoro-2-(4-methylthiophen-3-yl)quinazoline

5-bromo-4-chloro-8-fluoro-2-(4-methylthiophen-3-yl)quinazoline (PubChem CID 114591139) has the molecular formula C13H7BrClFN2S and a molecular weight of 357.64 g/mol. Its IUPAC name is 5-bromo-4-chloro-8-fluoro-2-(4-methylthiophen-3-yl)quinazoline.

Molecular Properties

Compound Name5-bromo-4-chloro-8-fluoro-2-(4-methylthiophen-3-yl)quinazoline
PubChem CID114591139
Molecular FormulaC13H7BrClFN2S
Molecular Weight357.64 g/mol
Exact Mass355.92
IUPAC Name5-bromo-4-chloro-8-fluoro-2-(4-methylthiophen-3-yl)quinazoline
SMILESCc1cscc1-c1nc(Cl)c2c(Br)ccc(F)c2n1
InChIInChI=1S/C13H7BrClFN2S/c1-6-4-19-5-7(6)13-17-11-9(16)3-2-8(14)10(11)12(15)18-13/h2-5H,1H3
InChIKeyHOQYAYUTVBHBMU-UHFFFAOYSA-N
XLogP5.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.64
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoroquinazoline
CID 107960438
4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoro-5-methylquinazoline
CID 107960388
2-(5-bromo-2-chlorophenyl)-4-chloro-8-fluoro-5-methylquinazoline
CID 114589983
4-chloro-2-(3-chloro-2-methylphenyl)-8-fluoro-5-methylquinazoline
CID 107096285
5-bromo-4-chloro-2-(2-ethylphenyl)-8-methylquinazoline
CID 114591241
5-bromo-4-chloro-2-(3-ethylthiophen-2-yl)-8-methylquinazoline
CID 114591231
5-bromo-4-chloro-2-(3-chloro-4-methylthiophen-2-yl)-8-methoxyquinazoline
CID 103400565
4,5-dichloro-2-(2,5-dichlorothiophen-3-yl)-8-fluoroquinazoline
CID 107960395
2-(2-bromo-5-chlorophenyl)-4-chloro-5-fluoro-6-methylpyrimidine
CID 66160468
4,8-dichloro-2-(2,3-difluorophenyl)-5-methylquinazoline
CID 114591679
4-chloro-2-(2-chloro-4-methylphenyl)-5-fluoro-8-methylquinazoline
CID 106860924
8-bromo-4-chloro-2-(2,3-difluorophenyl)-6-methylquinazoline
CID 114589638

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-8-fluoro-2-(4-methylthiophen-3-yl)quinazoline?
The IUPAC name of 5-bromo-4-chloro-8-fluoro-2-(4-methylthiophen-3-yl)quinazoline (CID 114591139) is 5-bromo-4-chloro-8-fluoro-2-(4-methylthiophen-3-yl)quinazoline.
What is the SMILES notation for 5-bromo-4-chloro-8-fluoro-2-(4-methylthiophen-3-yl)quinazoline?
The canonical SMILES for 5-bromo-4-chloro-8-fluoro-2-(4-methylthiophen-3-yl)quinazoline is Cc1cscc1-c1nc(Cl)c2c(Br)ccc(F)c2n1.
What is the InChIKey of 5-bromo-4-chloro-8-fluoro-2-(4-methylthiophen-3-yl)quinazoline?
The InChIKey is HOQYAYUTVBHBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClFN2S/c1-6-4-19-5-7(6)13-17-11-9(16)3-2-8(14)10(11)12(15)18-13/h2-5H,1H3.
What are the key properties of 5-bromo-4-chloro-8-fluoro-2-(4-methylthiophen-3-yl)quinazoline?
5-bromo-4-chloro-8-fluoro-2-(4-methylthiophen-3-yl)quinazoline has a molecular weight of 357.64 g/mol, XLogP of 5.22, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-8-fluoro-2-(4-methylthiophen-3-yl)quinazoline is sourced from PubChem (CID 114591139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).