4,6,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline

C13H6Cl4N2S — CID 103400530

IUPAC4,6,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline
SMILESCc1csc(-c2nc(Cl)c3cc(Cl)cc(Cl)c3n2)c1Cl
InChIInChI=1S/C13H6Cl4N2S/c1-5-4-20-11(9(5)16)13-18-10-7(12(17)19-13)2-6(14)3-8(10)15/h2-4H,1H3
InChIKeyBIWRQKBCCAWMBC-UHFFFAOYSA-N
MW364.08 g/mol
LogP6.28
Rot. Bonds1

About 4,6,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline

4,6,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline (PubChem CID 103400530) has the molecular formula C13H6Cl4N2S and a molecular weight of 364.08 g/mol. Its IUPAC name is 4,6,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline.

Molecular Properties

Compound Name4,6,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline
PubChem CID103400530
Molecular FormulaC13H6Cl4N2S
Molecular Weight364.08 g/mol
Exact Mass361.90
IUPAC Name4,6,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline
SMILESCc1csc(-c2nc(Cl)c3cc(Cl)cc(Cl)c3n2)c1Cl
InChIInChI=1S/C13H6Cl4N2S/c1-5-4-20-11(9(5)16)13-18-10-7(12(17)19-13)2-6(14)3-8(10)15/h2-4H,1H3
InChIKeyBIWRQKBCCAWMBC-UHFFFAOYSA-N
XLogP6.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.08
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline
CID 107050195
4,6,8-trichloro-2-(5-chloro-2-methylphenyl)quinazoline
CID 82870560
4,6,8-trichloro-2-(4-fluoro-3-methylphenyl)quinazoline
CID 63496972
5-(4,6,8-trichloroquinazolin-2-yl)-1,3-thiazole
CID 114031049
2-(3-chloro-4-methylthiophen-2-yl)-8-methylquinazolin-4-amine
CID 103406366
2,4,6,8-tetrachloroquinazoline
CID 12703363
4,6,8-trichloro-2-thieno[3,2-b]thiophen-5-ylquinazoline
CID 80722276
5-bromo-4-chloro-2-(3-chloro-4-methylthiophen-2-yl)-8-methoxyquinazoline
CID 103400565
2-(5-bromo-2-chlorophenyl)-4,6,8-trichloroquinazoline
CID 63496792
2-(4-bromo-2-chlorophenyl)-4,6,8-trichloroquinazoline
CID 63496793
2,3,4,6,8-pentachloroquinoline
CID 97181861
6,8-dichloro-2-(3-chlorothiophen-2-yl)-N-ethylquinazolin-4-amine
CID 80648476

Frequently Asked Questions

What is the IUPAC name of 4,6,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline?
The IUPAC name of 4,6,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline (CID 103400530) is 4,6,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline.
What is the SMILES notation for 4,6,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline?
The canonical SMILES for 4,6,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline is Cc1csc(-c2nc(Cl)c3cc(Cl)cc(Cl)c3n2)c1Cl.
What is the InChIKey of 4,6,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline?
The InChIKey is BIWRQKBCCAWMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl4N2S/c1-5-4-20-11(9(5)16)13-18-10-7(12(17)19-13)2-6(14)3-8(10)15/h2-4H,1H3.
What are the key properties of 4,6,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline?
4,6,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline has a molecular weight of 364.08 g/mol, XLogP of 6.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline is sourced from PubChem (CID 103400530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).