4,8-dichloro-6-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline

C15H8Cl2N2S2 — CID 114590852

IUPAC4,8-dichloro-6-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline
SMILESCc1cc(Cl)c2nc(-c3cc4sccc4s3)nc(Cl)c2c1
InChIInChI=1S/C15H8Cl2N2S2/c1-7-4-8-13(9(16)5-7)18-15(19-14(8)17)12-6-11-10(21-12)2-3-20-11/h2-6H,1H3
InChIKeyRPJVJNGANLAWNY-UHFFFAOYSA-N
MW351.28 g/mol
LogP6.19
Rot. Bonds1

About 4,8-dichloro-6-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline

4,8-dichloro-6-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline (PubChem CID 114590852) has the molecular formula C15H8Cl2N2S2 and a molecular weight of 351.28 g/mol. Its IUPAC name is 4,8-dichloro-6-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline.

Molecular Properties

Compound Name4,8-dichloro-6-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline
PubChem CID114590852
Molecular FormulaC15H8Cl2N2S2
Molecular Weight351.28 g/mol
Exact Mass349.95
IUPAC Name4,8-dichloro-6-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline
SMILESCc1cc(Cl)c2nc(-c3cc4sccc4s3)nc(Cl)c2c1
InChIInChI=1S/C15H8Cl2N2S2/c1-7-4-8-13(9(16)5-7)18-15(19-14(8)17)12-6-11-10(21-12)2-3-20-11/h2-6H,1H3
InChIKeyRPJVJNGANLAWNY-UHFFFAOYSA-N
XLogP6.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.28
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,6,8-trichloro-2-thieno[3,2-b]thiophen-5-ylquinazoline
CID 80722276
7-bromo-4-chloro-8-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline
CID 114591559
4-chloro-5-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline
CID 80722271
4,8-dichloro-2-(4-methoxythiophen-2-yl)-6-methylquinazoline
CID 114590837
4,8-dichloro-2-(3-chloro-4-methylphenyl)-6-methylquinazoline
CID 114590874
4,8-dichloro-2-(3-fluorophenyl)-6-methylquinazoline
CID 114590868
4,8-dichloro-6-methyl-2-(2-methylsulfanylphenyl)quinazoline
CID 114590827
4,8-dichloro-2-(2,3-difluorophenyl)-6-methylquinazoline
CID 114590823
4-chloro-2-(3-ethylthiophen-2-yl)-6,8-dimethylquinazoline
CID 114590391
5-(4,6,8-trichloroquinazolin-2-yl)-1,3-thiazole
CID 114031049
2-(1-benzothiophen-2-yl)-4-chloro-8-fluoroquinazoline
CID 114590475
3-thieno[3,2-b]thiophen-5-yl-5-thiophen-2-yl-1H-1,2,4-triazole
CID 80745099

Frequently Asked Questions

What is the IUPAC name of 4,8-dichloro-6-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline?
The IUPAC name of 4,8-dichloro-6-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline (CID 114590852) is 4,8-dichloro-6-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline.
What is the SMILES notation for 4,8-dichloro-6-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline?
The canonical SMILES for 4,8-dichloro-6-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline is Cc1cc(Cl)c2nc(-c3cc4sccc4s3)nc(Cl)c2c1.
What is the InChIKey of 4,8-dichloro-6-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline?
The InChIKey is RPJVJNGANLAWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl2N2S2/c1-7-4-8-13(9(16)5-7)18-15(19-14(8)17)12-6-11-10(21-12)2-3-20-11/h2-6H,1H3.
What are the key properties of 4,8-dichloro-6-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline?
4,8-dichloro-6-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline has a molecular weight of 351.28 g/mol, XLogP of 6.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dichloro-6-methyl-2-thieno[3,2-b]thiophen-5-ylquinazoline is sourced from PubChem (CID 114590852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).