4,5,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline

C13H6Cl4N2S — CID 107050195

IUPAC4,5,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline
SMILESCc1csc(-c2nc(Cl)c3c(Cl)ccc(Cl)c3n2)c1Cl
InChIInChI=1S/C13H6Cl4N2S/c1-5-4-20-11(9(5)16)13-18-10-7(15)3-2-6(14)8(10)12(17)19-13/h2-4H,1H3
InChIKeyROBQBXUHCAROOH-UHFFFAOYSA-N
MW364.08 g/mol
LogP6.28
Rot. Bonds1

About 4,5,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline

4,5,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline (PubChem CID 107050195) has the molecular formula C13H6Cl4N2S and a molecular weight of 364.08 g/mol. Its IUPAC name is 4,5,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline.

Molecular Properties

Compound Name4,5,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline
PubChem CID107050195
Molecular FormulaC13H6Cl4N2S
Molecular Weight364.08 g/mol
Exact Mass361.90
IUPAC Name4,5,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline
SMILESCc1csc(-c2nc(Cl)c3c(Cl)ccc(Cl)c3n2)c1Cl
InChIInChI=1S/C13H6Cl4N2S/c1-5-4-20-11(9(5)16)13-18-10-7(15)3-2-6(14)8(10)12(17)19-13/h2-4H,1H3
InChIKeyROBQBXUHCAROOH-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

4,6,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline
CID 103400530
5-bromo-4-chloro-2-(3-chloro-4-methylthiophen-2-yl)-8-methoxyquinazoline
CID 103400565
2-(3-chloro-4-methylthiophen-2-yl)-8-methylquinazolin-4-amine
CID 103406366
2-(5-bromothiophen-3-yl)-4,5-dichloro-8-methylquinazoline
CID 114021117
4,8-dichloro-5-methyl-2-(3-methylphenyl)quinazoline
CID 114591688
4,8-dichloro-2-(2,3-difluorophenyl)-5-methylquinazoline
CID 114591679
4-chloro-2-(4-chloro-3-fluorophenyl)-7-methylthieno[3,2-d]pyrimidine
CID 11565869
4,7-dichloro-3-methyl-1-benzothiophene
CID 91881908
3-(3-chloro-4-methylthiophen-2-yl)-1H-1,2,4-triazole-5-sulfonamide
CID 103407325
2-(3-chloro-4-methylthiophen-2-yl)-6-methyl-1H-benzimidazole
CID 103402830
5-bromo-4-chloro-2-(3-ethylthiophen-2-yl)-8-methylquinazoline
CID 114591231
4,5-dichloro-8-fluoro-2-phenylquinazoline
CID 114590069

Frequently Asked Questions

What is the IUPAC name of 4,5,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline?
The IUPAC name of 4,5,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline (CID 107050195) is 4,5,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline.
What is the SMILES notation for 4,5,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline?
The canonical SMILES for 4,5,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline is Cc1csc(-c2nc(Cl)c3c(Cl)ccc(Cl)c3n2)c1Cl.
What is the InChIKey of 4,5,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline?
The InChIKey is ROBQBXUHCAROOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl4N2S/c1-5-4-20-11(9(5)16)13-18-10-7(15)3-2-6(14)8(10)12(17)19-13/h2-4H,1H3.
What are the key properties of 4,5,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline?
4,5,8-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 4,5,8-trichloro-2-(3-chloro-4-methylthiophen-2-yl)quinazoline is sourced from PubChem (CID 107050195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).