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

C15H9ClN2S2 — CID 80722271

IUPAC4-chloro-5-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline
SMILESCc1cccc2nc(-c3cc4sccc4s3)nc(Cl)c12
InChIInChI=1S/C15H9ClN2S2/c1-8-3-2-4-9-13(8)14(16)18-15(17-9)12-7-11-10(20-12)5-6-19-11/h2-7H,1H3
InChIKeyZHPYJAHVMYADLE-UHFFFAOYSA-N
MW316.84 g/mol
LogP5.53
Rot. Bonds1

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

4-chloro-5-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline (PubChem CID 80722271) has the molecular formula C15H9ClN2S2 and a molecular weight of 316.84 g/mol. Its IUPAC name is 4-chloro-5-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline.

Molecular Properties

Compound Name4-chloro-5-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline
PubChem CID80722271
Molecular FormulaC15H9ClN2S2
Molecular Weight316.84 g/mol
Exact Mass315.99
IUPAC Name4-chloro-5-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline
SMILESCc1cccc2nc(-c3cc4sccc4s3)nc(Cl)c12
InChIInChI=1S/C15H9ClN2S2/c1-8-3-2-4-9-13(8)14(16)18-15(17-9)12-7-11-10(20-12)5-6-19-11/h2-7H,1H3
InChIKeyZHPYJAHVMYADLE-UHFFFAOYSA-N
XLogP5.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.84
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline?
The IUPAC name of 4-chloro-5-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline (CID 80722271) is 4-chloro-5-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline.
What is the SMILES notation for 4-chloro-5-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline?
The canonical SMILES for 4-chloro-5-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline is Cc1cccc2nc(-c3cc4sccc4s3)nc(Cl)c12.
What is the InChIKey of 4-chloro-5-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline?
The InChIKey is ZHPYJAHVMYADLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2S2/c1-8-3-2-4-9-13(8)14(16)18-15(17-9)12-7-11-10(20-12)5-6-19-11/h2-7H,1H3.
What are the key properties of 4-chloro-5-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline?
4-chloro-5-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline has a molecular weight of 316.84 g/mol, XLogP of 5.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline is sourced from PubChem (CID 80722271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).