5-bromo-4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoroquinazoline

C12H3Br3ClFN2S — CID 107960438

IUPAC5-bromo-4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoroquinazoline
SMILESFc1ccc(Br)c2c(Cl)nc(-c3cc(Br)sc3Br)nc12
InChIInChI=1S/C12H3Br3ClFN2S/c13-5-1-2-6(17)9-8(5)11(16)19-12(18-9)4-3-7(14)20-10(4)15/h1-3H
InChIKeyLVIYLJBEYGSBMH-UHFFFAOYSA-N
MW501.40 g/mol
LogP6.44
Rot. Bonds1

About 5-bromo-4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoroquinazoline

5-bromo-4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoroquinazoline (PubChem CID 107960438) has the molecular formula C12H3Br3ClFN2S and a molecular weight of 501.40 g/mol. Its IUPAC name is 5-bromo-4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoroquinazoline.

Molecular Properties

Compound Name5-bromo-4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoroquinazoline
PubChem CID107960438
Molecular FormulaC12H3Br3ClFN2S
Molecular Weight501.40 g/mol
Exact Mass497.72
IUPAC Name5-bromo-4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoroquinazoline
SMILESFc1ccc(Br)c2c(Cl)nc(-c3cc(Br)sc3Br)nc12
InChIInChI=1S/C12H3Br3ClFN2S/c13-5-1-2-6(17)9-8(5)11(16)19-12(18-9)4-3-7(14)20-10(4)15/h1-3H
InChIKeyLVIYLJBEYGSBMH-UHFFFAOYSA-N
XLogP6.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.40
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoro-5-methylquinazoline
CID 107960388
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-chloro-2-(2,5-dibromothiophen-3-yl)-5-methylquinazoline
CID 107960337
4,5-dichloro-2-(2,5-dichlorothiophen-3-yl)-8-fluoroquinazoline
CID 107960395
2-(5-bromo-2-chlorophenyl)-4-chloro-8-fluoro-5-methylquinazoline
CID 114589983
6,8-dibromo-2-(2,5-dibromothiophen-3-yl)-N-methylquinazolin-4-amine
CID 107966577
4-chloro-2-(2,5-dibromothiophen-3-yl)-6-nitroquinazoline
CID 107960357
2-(2-bromo-5-chlorophenyl)-4-chloro-5-fluoro-6-methylpyrimidine
CID 66160468
4-chloro-2-(3-chloro-2-methylphenyl)-8-fluoro-5-methylquinazoline
CID 107096285
4,5-dichloro-8-fluoro-2-phenylquinazoline
CID 114590069
6-bromo-2,4-dichloro-5,8-difluoroquinazoline
CID 176948856

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoroquinazoline?
The IUPAC name of 5-bromo-4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoroquinazoline (CID 107960438) is 5-bromo-4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoroquinazoline.
What is the SMILES notation for 5-bromo-4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoroquinazoline?
The canonical SMILES for 5-bromo-4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoroquinazoline is Fc1ccc(Br)c2c(Cl)nc(-c3cc(Br)sc3Br)nc12.
What is the InChIKey of 5-bromo-4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoroquinazoline?
The InChIKey is LVIYLJBEYGSBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H3Br3ClFN2S/c13-5-1-2-6(17)9-8(5)11(16)19-12(18-9)4-3-7(14)20-10(4)15/h1-3H.
What are the key properties of 5-bromo-4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoroquinazoline?
5-bromo-4-chloro-2-(2,5-dibromothiophen-3-yl)-8-fluoroquinazoline has a molecular weight of 501.40 g/mol, XLogP of 6.44, 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-2-(2,5-dibromothiophen-3-yl)-8-fluoroquinazoline is sourced from PubChem (CID 107960438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).