4,6-dichloro-2-thiophen-2-ylquinazoline

C12H6Cl2N2S — CID 55180550

IUPAC4,6-dichloro-2-thiophen-2-ylquinazoline
SMILESClc1ccc2nc(-c3cccs3)nc(Cl)c2c1
InChIInChI=1S/C12H6Cl2N2S/c13-7-3-4-9-8(6-7)11(14)16-12(15-9)10-2-1-5-17-10/h1-6H
InChIKeySAQZWNASPHJXFU-UHFFFAOYSA-N
MW281.17 g/mol
LogP4.67
Rot. Bonds1

About 4,6-dichloro-2-thiophen-2-ylquinazoline

4,6-dichloro-2-thiophen-2-ylquinazoline (PubChem CID 55180550) has the molecular formula C12H6Cl2N2S and a molecular weight of 281.17 g/mol. Its IUPAC name is 4,6-dichloro-2-thiophen-2-ylquinazoline.

Molecular Properties

Compound Name4,6-dichloro-2-thiophen-2-ylquinazoline
PubChem CID55180550
Molecular FormulaC12H6Cl2N2S
Molecular Weight281.17 g/mol
Exact Mass279.96
IUPAC Name4,6-dichloro-2-thiophen-2-ylquinazoline
SMILESClc1ccc2nc(-c3cccs3)nc(Cl)c2c1
InChIInChI=1S/C12H6Cl2N2S/c13-7-3-4-9-8(6-7)11(14)16-12(15-9)10-2-1-5-17-10/h1-6H
InChIKeySAQZWNASPHJXFU-UHFFFAOYSA-N
XLogP4.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.17
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-thiophen-2-ylbenzo[g]quinazoline
CID 114589464
4,6-dichloro-2-(3-chlorothiophen-2-yl)quinazoline
CID 80645436
6-chloro-2-thiophen-2-yl-3,1-benzoxazin-4-one
CID 574259
6-chloro-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 625807
4,6-dichloro-2-(3,5-difluorophenyl)quinazoline
CID 63085337
4-chloro-5-methoxy-2-thiophen-2-ylquinazoline
CID 22124922
N'-(6-chloro-4-thiophen-2-ylquinazolin-2-yl)methanediamine
CID 142254122
4,6-dichloro-5-ethyl-2-thiophen-2-ylpyrimidine
CID 63613318
4,6-dichloro-2-(2-methoxyphenyl)quinazoline
CID 63084991
4,6-dichloro-2-(4-propan-2-ylphenyl)quinazoline
CID 63496784
5-chloro-3-thiophen-2-yl-1,2-benzoxazole
CID 13404237
4-chloro-5-iodo-6-phenyl-2-thiophen-2-ylpyrimidine
CID 66293940

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-thiophen-2-ylquinazoline?
The IUPAC name of 4,6-dichloro-2-thiophen-2-ylquinazoline (CID 55180550) is 4,6-dichloro-2-thiophen-2-ylquinazoline.
What is the SMILES notation for 4,6-dichloro-2-thiophen-2-ylquinazoline?
The canonical SMILES for 4,6-dichloro-2-thiophen-2-ylquinazoline is Clc1ccc2nc(-c3cccs3)nc(Cl)c2c1.
What is the InChIKey of 4,6-dichloro-2-thiophen-2-ylquinazoline?
The InChIKey is SAQZWNASPHJXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2N2S/c13-7-3-4-9-8(6-7)11(14)16-12(15-9)10-2-1-5-17-10/h1-6H.
What are the key properties of 4,6-dichloro-2-thiophen-2-ylquinazoline?
4,6-dichloro-2-thiophen-2-ylquinazoline has a molecular weight of 281.17 g/mol, XLogP of 4.67, 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-thiophen-2-ylquinazoline is sourced from PubChem (CID 55180550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).