4,6-dichloro-2-(3-chlorothiophen-2-yl)quinazoline

C12H5Cl3N2S — CID 80645436

IUPAC4,6-dichloro-2-(3-chlorothiophen-2-yl)quinazoline
SMILESClc1ccc2nc(-c3sccc3Cl)nc(Cl)c2c1
InChIInChI=1S/C12H5Cl3N2S/c13-6-1-2-9-7(5-6)11(15)17-12(16-9)10-8(14)3-4-18-10/h1-5H
InChIKeyUCHYNFXLIDAFOM-UHFFFAOYSA-N
MW315.61 g/mol
LogP5.32
Rot. Bonds1

About 4,6-dichloro-2-(3-chlorothiophen-2-yl)quinazoline

4,6-dichloro-2-(3-chlorothiophen-2-yl)quinazoline (PubChem CID 80645436) has the molecular formula C12H5Cl3N2S and a molecular weight of 315.61 g/mol. Its IUPAC name is 4,6-dichloro-2-(3-chlorothiophen-2-yl)quinazoline.

Molecular Properties

Compound Name4,6-dichloro-2-(3-chlorothiophen-2-yl)quinazoline
PubChem CID80645436
Molecular FormulaC12H5Cl3N2S
Molecular Weight315.61 g/mol
Exact Mass313.92
IUPAC Name4,6-dichloro-2-(3-chlorothiophen-2-yl)quinazoline
SMILESClc1ccc2nc(-c3sccc3Cl)nc(Cl)c2c1
InChIInChI=1S/C12H5Cl3N2S/c13-6-1-2-9-7(5-6)11(15)17-12(16-9)10-8(14)3-4-18-10/h1-5H
InChIKeyUCHYNFXLIDAFOM-UHFFFAOYSA-N
XLogP5.32
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.61
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-(3-chlorothiophen-2-yl)quinazoline?
The IUPAC name of 4,6-dichloro-2-(3-chlorothiophen-2-yl)quinazoline (CID 80645436) is 4,6-dichloro-2-(3-chlorothiophen-2-yl)quinazoline.
What is the SMILES notation for 4,6-dichloro-2-(3-chlorothiophen-2-yl)quinazoline?
The canonical SMILES for 4,6-dichloro-2-(3-chlorothiophen-2-yl)quinazoline is Clc1ccc2nc(-c3sccc3Cl)nc(Cl)c2c1.
What is the InChIKey of 4,6-dichloro-2-(3-chlorothiophen-2-yl)quinazoline?
The InChIKey is UCHYNFXLIDAFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3N2S/c13-6-1-2-9-7(5-6)11(15)17-12(16-9)10-8(14)3-4-18-10/h1-5H.
What are the key properties of 4,6-dichloro-2-(3-chlorothiophen-2-yl)quinazoline?
4,6-dichloro-2-(3-chlorothiophen-2-yl)quinazoline has a molecular weight of 315.61 g/mol, XLogP of 5.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(3-chlorothiophen-2-yl)quinazoline is sourced from PubChem (CID 80645436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).