6,8-dibromo-2-(5-bromothiophen-3-yl)-4-chloroquinazoline

C12H4Br3ClN2S — CID 107960351

IUPAC6,8-dibromo-2-(5-bromothiophen-3-yl)-4-chloroquinazoline
SMILESClc1nc(-c2csc(Br)c2)nc2c(Br)cc(Br)cc12
InChIInChI=1S/C12H4Br3ClN2S/c13-6-2-7-10(8(14)3-6)17-12(18-11(7)16)5-1-9(15)19-4-5/h1-4H
InChIKeyTYOOIPDBBHNOKC-UHFFFAOYSA-N
MW483.41 g/mol
LogP6.30
Rot. Bonds1

About 6,8-dibromo-2-(5-bromothiophen-3-yl)-4-chloroquinazoline

6,8-dibromo-2-(5-bromothiophen-3-yl)-4-chloroquinazoline (PubChem CID 107960351) has the molecular formula C12H4Br3ClN2S and a molecular weight of 483.41 g/mol. Its IUPAC name is 6,8-dibromo-2-(5-bromothiophen-3-yl)-4-chloroquinazoline.

Molecular Properties

Compound Name6,8-dibromo-2-(5-bromothiophen-3-yl)-4-chloroquinazoline
PubChem CID107960351
Molecular FormulaC12H4Br3ClN2S
Molecular Weight483.41 g/mol
Exact Mass479.73
IUPAC Name6,8-dibromo-2-(5-bromothiophen-3-yl)-4-chloroquinazoline
SMILESClc1nc(-c2csc(Br)c2)nc2c(Br)cc(Br)cc12
InChIInChI=1S/C12H4Br3ClN2S/c13-6-2-7-10(8(14)3-6)17-12(18-11(7)16)5-1-9(15)19-4-5/h1-4H
InChIKeyTYOOIPDBBHNOKC-UHFFFAOYSA-N
XLogP6.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.41
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,8-dibromo-4-chloro-2-(2-methylphenyl)quinazoline
CID 63497501
2-(5-bromothiophen-3-yl)-4,5-dichloro-8-methylquinazoline
CID 114021117
6,8-dibromo-4-chloro-2-(5-chloro-2-methylphenyl)quinazoline
CID 82870561
6,8-dibromo-4-chloro-2-(2,4-dimethylphenyl)quinazoline
CID 63497676
6,8-dibromo-4-chloro-2-methylsulfanylquinazoline
CID 114692809
6,8-dibromo-4-chloro-2-cyclopropylquinazoline
CID 106584417
8-bromo-4-chloro-2-thiophen-3-ylquinazoline
CID 114590763
6,8-dibromo-2-(3,5-difluorophenyl)quinazolin-4-amine
CID 64983350
6-bromo-2-(5-bromothiophen-3-yl)-N-methylquinazolin-4-amine
CID 107966582
6-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline
CID 114591070
4-[6-bromo-4-chloro-2-(4-chlorophenyl)quinazolin-8-yl]but-3-yn-1-ol
CID 132568913
6-bromo-4-chloro-2-(2-chloro-4-methylphenyl)-8-fluoroquinazoline
CID 106860939

Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-2-(5-bromothiophen-3-yl)-4-chloroquinazoline?
The IUPAC name of 6,8-dibromo-2-(5-bromothiophen-3-yl)-4-chloroquinazoline (CID 107960351) is 6,8-dibromo-2-(5-bromothiophen-3-yl)-4-chloroquinazoline.
What is the SMILES notation for 6,8-dibromo-2-(5-bromothiophen-3-yl)-4-chloroquinazoline?
The canonical SMILES for 6,8-dibromo-2-(5-bromothiophen-3-yl)-4-chloroquinazoline is Clc1nc(-c2csc(Br)c2)nc2c(Br)cc(Br)cc12.
What is the InChIKey of 6,8-dibromo-2-(5-bromothiophen-3-yl)-4-chloroquinazoline?
The InChIKey is TYOOIPDBBHNOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4Br3ClN2S/c13-6-2-7-10(8(14)3-6)17-12(18-11(7)16)5-1-9(15)19-4-5/h1-4H.
What are the key properties of 6,8-dibromo-2-(5-bromothiophen-3-yl)-4-chloroquinazoline?
6,8-dibromo-2-(5-bromothiophen-3-yl)-4-chloroquinazoline has a molecular weight of 483.41 g/mol, XLogP of 6.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-2-(5-bromothiophen-3-yl)-4-chloroquinazoline is sourced from PubChem (CID 107960351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).