4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoro-5-methylquinazoline

C13H6Br2ClFN2S — CID 107960388

IUPAC4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoro-5-methylquinazoline
SMILESCc1ccc(F)c2nc(-c3cc(Br)sc3Br)nc(Cl)c12
InChIInChI=1S/C13H6Br2ClFN2S/c1-5-2-3-7(17)10-9(5)12(16)19-13(18-10)6-4-8(14)20-11(6)15/h2-4H,1H3
InChIKeyCKSKSNAFJOSWTI-UHFFFAOYSA-N
MW436.53 g/mol
LogP5.98
Rot. Bonds1

About 4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoro-5-methylquinazoline

4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoro-5-methylquinazoline (PubChem CID 107960388) has the molecular formula C13H6Br2ClFN2S and a molecular weight of 436.53 g/mol. Its IUPAC name is 4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoro-5-methylquinazoline.

Molecular Properties

Compound Name4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoro-5-methylquinazoline
PubChem CID107960388
Molecular FormulaC13H6Br2ClFN2S
Molecular Weight436.53 g/mol
Exact Mass433.83
IUPAC Name4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoro-5-methylquinazoline
SMILESCc1ccc(F)c2nc(-c3cc(Br)sc3Br)nc(Cl)c12
InChIInChI=1S/C13H6Br2ClFN2S/c1-5-2-3-7(17)10-9(5)12(16)19-13(18-10)6-4-8(14)20-11(6)15/h2-4H,1H3
InChIKeyCKSKSNAFJOSWTI-UHFFFAOYSA-N
XLogP5.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.53
LogP ≤ 55.98
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
2-(5-bromo-2-chlorophenyl)-4-chloro-8-fluoro-5-methylquinazoline
CID 114589983
4-chloro-2-(2,5-dibromothiophen-3-yl)-5-methylquinazoline
CID 107960337
4-chloro-2-(3-chloro-2-methylphenyl)-8-fluoro-5-methylquinazoline
CID 107096285
5-bromo-4-chloro-8-fluoro-2-(4-methylthiophen-3-yl)quinazoline
CID 114591139
4-chloro-2-(2,5-dibromothiophen-3-yl)-7-fluoroquinazoline
CID 107960345
4,5-dichloro-2-(2,5-dichlorothiophen-3-yl)-8-fluoroquinazoline
CID 107960395
4,8-dichloro-2-(2,3-difluorophenyl)-5-methylquinazoline
CID 114591679
4-chloro-2-(2-chloro-4-methylphenyl)-5-fluoro-8-methylquinazoline
CID 106860924
2,4-dichloro-8-fluoro-5-methylquinoline
CID 121399116
4-chloro-8-fluoro-5-methylquinazoline
CID 104782222
5-bromo-4,6-dichloro-2-(5-fluoro-2-methylphenyl)pyrimidine
CID 66314548

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoro-5-methylquinazoline?
The IUPAC name of 4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoro-5-methylquinazoline (CID 107960388) is 4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoro-5-methylquinazoline.
What is the SMILES notation for 4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoro-5-methylquinazoline?
The canonical SMILES for 4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoro-5-methylquinazoline is Cc1ccc(F)c2nc(-c3cc(Br)sc3Br)nc(Cl)c12.
What is the InChIKey of 4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoro-5-methylquinazoline?
The InChIKey is CKSKSNAFJOSWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2ClFN2S/c1-5-2-3-7(17)10-9(5)12(16)19-13(18-10)6-4-8(14)20-11(6)15/h2-4H,1H3.
What are the key properties of 4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoro-5-methylquinazoline?
4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoro-5-methylquinazoline has a molecular weight of 436.53 g/mol, XLogP of 5.98, 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)-8-fluoro-5-methylquinazoline is sourced from PubChem (CID 107960388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).