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

C13H7Br2ClN2S — CID 107960337

IUPAC4-chloro-2-(2,5-dibromothiophen-3-yl)-5-methylquinazoline
SMILESCc1cccc2nc(-c3cc(Br)sc3Br)nc(Cl)c12
InChIInChI=1S/C13H7Br2ClN2S/c1-6-3-2-4-8-10(6)12(16)18-13(17-8)7-5-9(14)19-11(7)15/h2-5H,1H3
InChIKeyXULXWOHJXDDFMF-UHFFFAOYSA-N
MW418.54 g/mol
LogP5.85
Rot. Bonds1

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

4-chloro-2-(2,5-dibromothiophen-3-yl)-5-methylquinazoline (PubChem CID 107960337) has the molecular formula C13H7Br2ClN2S and a molecular weight of 418.54 g/mol. Its IUPAC name is 4-chloro-2-(2,5-dibromothiophen-3-yl)-5-methylquinazoline.

Molecular Properties

Compound Name4-chloro-2-(2,5-dibromothiophen-3-yl)-5-methylquinazoline
PubChem CID107960337
Molecular FormulaC13H7Br2ClN2S
Molecular Weight418.54 g/mol
Exact Mass415.84
IUPAC Name4-chloro-2-(2,5-dibromothiophen-3-yl)-5-methylquinazoline
SMILESCc1cccc2nc(-c3cc(Br)sc3Br)nc(Cl)c12
InChIInChI=1S/C13H7Br2ClN2S/c1-6-3-2-4-8-10(6)12(16)18-13(17-8)7-5-9(14)19-11(7)15/h2-5H,1H3
InChIKeyXULXWOHJXDDFMF-UHFFFAOYSA-N
XLogP5.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-methyl-2-(2-methylphenyl)quinazoline
CID 63086200
4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoro-5-methylquinazoline
CID 107960388
4-chloro-2-(2-fluoro-3-methylphenyl)-5-methylquinazoline
CID 81481875
4-chloro-5-methyl-2-(4-methylphenyl)quinazoline
CID 63086037
4-chloro-5-methyl-2-(2,3,4-trifluorophenyl)quinazoline
CID 79757486
4-chloro-5-fluoro-2-(2-methylphenyl)quinazoline
CID 114590256
4-chloro-2-(2,5-dibromothiophen-3-yl)-7-fluoroquinazoline
CID 107960345
4-chloro-5-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline
CID 80722271
5-bromo-4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoroquinazoline
CID 107960438
4-chloro-2-(2,4-dimethylphenyl)-5-fluoroquinazoline
CID 114590238
4-chloro-2-(2,5-dibromothiophen-3-yl)-6-nitroquinazoline
CID 107960357
2-(5-bromo-2-chlorophenyl)-4,5-dichloroquinazoline
CID 114590319

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,5-dibromothiophen-3-yl)-5-methylquinazoline?
The IUPAC name of 4-chloro-2-(2,5-dibromothiophen-3-yl)-5-methylquinazoline (CID 107960337) is 4-chloro-2-(2,5-dibromothiophen-3-yl)-5-methylquinazoline.
What is the SMILES notation for 4-chloro-2-(2,5-dibromothiophen-3-yl)-5-methylquinazoline?
The canonical SMILES for 4-chloro-2-(2,5-dibromothiophen-3-yl)-5-methylquinazoline is Cc1cccc2nc(-c3cc(Br)sc3Br)nc(Cl)c12.
What is the InChIKey of 4-chloro-2-(2,5-dibromothiophen-3-yl)-5-methylquinazoline?
The InChIKey is XULXWOHJXDDFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Br2ClN2S/c1-6-3-2-4-8-10(6)12(16)18-13(17-8)7-5-9(14)19-11(7)15/h2-5H,1H3.
What are the key properties of 4-chloro-2-(2,5-dibromothiophen-3-yl)-5-methylquinazoline?
4-chloro-2-(2,5-dibromothiophen-3-yl)-5-methylquinazoline has a molecular weight of 418.54 g/mol, XLogP of 5.85, 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)-5-methylquinazoline is sourced from PubChem (CID 107960337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).