7-bromo-4-chloro-8-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline

C15H8BrClN2S2 — CID 114591559

IUPAC7-bromo-4-chloro-8-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline
SMILESCc1c(Br)ccc2c(Cl)nc(-c3cc4sccc4s3)nc12
InChIInChI=1S/C15H8BrClN2S2/c1-7-9(16)3-2-8-13(7)18-15(19-14(8)17)12-6-11-10(21-12)4-5-20-11/h2-6H,1H3
InChIKeyANRADIRWLDSTMJ-UHFFFAOYSA-N
MW395.73 g/mol
LogP6.30
Rot. Bonds1

About 7-bromo-4-chloro-8-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline

7-bromo-4-chloro-8-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline (PubChem CID 114591559) has the molecular formula C15H8BrClN2S2 and a molecular weight of 395.73 g/mol. Its IUPAC name is 7-bromo-4-chloro-8-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline.

Molecular Properties

Compound Name7-bromo-4-chloro-8-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline
PubChem CID114591559
Molecular FormulaC15H8BrClN2S2
Molecular Weight395.73 g/mol
Exact Mass393.90
IUPAC Name7-bromo-4-chloro-8-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline
SMILESCc1c(Br)ccc2c(Cl)nc(-c3cc4sccc4s3)nc12
InChIInChI=1S/C15H8BrClN2S2/c1-7-9(16)3-2-8-13(7)18-15(19-14(8)17)12-6-11-10(21-12)4-5-20-11/h2-6H,1H3
InChIKeyANRADIRWLDSTMJ-UHFFFAOYSA-N
XLogP6.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.73
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,8-dichloro-6-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline
CID 114590852
4,6,8-trichloro-2-thieno[3,2-b]thiophen-5-ylquinazoline
CID 80722276
7-bromo-4-chloro-2-(2,4-dichlorophenyl)-8-methylquinazoline
CID 114591566
4-chloro-5-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline
CID 80722271
7-bromo-4-chloro-2-(4-methoxyphenyl)-8-methylquinazoline
CID 114591533
7-bromo-4-chloro-2-(2-chloro-3-methylphenyl)-8-methylquinazoline
CID 114591569
4-chloro-2-(5-methylthiophen-2-yl)benzo[h]quinazoline
CID 114591312
2-(1-benzothiophen-2-yl)-4-chloro-8-fluoroquinazoline
CID 114590475
2-(5-bromo-2-chlorophenyl)-4-chloro-7-fluoro-8-methylquinazoline
CID 114591476
4-chloro-2-(3-methylthiophen-2-yl)benzo[h]quinazoline
CID 114591314
4-(8-bromo-4-chloroquinazolin-2-yl)-2-methyl-1,3-thiazole
CID 114031072
4,7-dichloro-2-(3,5-difluorophenyl)-8-methylquinazoline
CID 114589521

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-8-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline?
The IUPAC name of 7-bromo-4-chloro-8-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline (CID 114591559) is 7-bromo-4-chloro-8-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline.
What is the SMILES notation for 7-bromo-4-chloro-8-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline?
The canonical SMILES for 7-bromo-4-chloro-8-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline is Cc1c(Br)ccc2c(Cl)nc(-c3cc4sccc4s3)nc12.
What is the InChIKey of 7-bromo-4-chloro-8-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline?
The InChIKey is ANRADIRWLDSTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrClN2S2/c1-7-9(16)3-2-8-13(7)18-15(19-14(8)17)12-6-11-10(21-12)4-5-20-11/h2-6H,1H3.
What are the key properties of 7-bromo-4-chloro-8-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline?
7-bromo-4-chloro-8-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline has a molecular weight of 395.73 g/mol, XLogP of 6.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-chloro-8-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline is sourced from PubChem (CID 114591559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).