4-chloro-7-methoxy-2-thiophen-2-ylquinazoline

C13H9ClN2OS — CID 22124920

IUPAC4-chloro-7-methoxy-2-thiophen-2-ylquinazoline
SMILESCOc1ccc2c(Cl)nc(-c3cccs3)nc2c1
InChIInChI=1S/C13H9ClN2OS/c1-17-8-4-5-9-10(7-8)15-13(16-12(9)14)11-3-2-6-18-11/h2-7H,1H3
InChIKeyXLIULZXMNWJMHL-UHFFFAOYSA-N
MW276.75 g/mol
LogP4.02
Rot. Bonds2

About 4-chloro-7-methoxy-2-thiophen-2-ylquinazoline

4-chloro-7-methoxy-2-thiophen-2-ylquinazoline (PubChem CID 22124920) has the molecular formula C13H9ClN2OS and a molecular weight of 276.75 g/mol. Its IUPAC name is 4-chloro-7-methoxy-2-thiophen-2-ylquinazoline.

Molecular Properties

Compound Name4-chloro-7-methoxy-2-thiophen-2-ylquinazoline
PubChem CID22124920
Molecular FormulaC13H9ClN2OS
Molecular Weight276.75 g/mol
Exact Mass276.01
IUPAC Name4-chloro-7-methoxy-2-thiophen-2-ylquinazoline
SMILESCOc1ccc2c(Cl)nc(-c3cccs3)nc2c1
InChIInChI=1S/C13H9ClN2OS/c1-17-8-4-5-9-10(7-8)15-13(16-12(9)14)11-3-2-6-18-11/h2-7H,1H3
InChIKeyXLIULZXMNWJMHL-UHFFFAOYSA-N
XLogP4.02
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-methoxy-2-thiophen-2-ylquinazoline?
The IUPAC name of 4-chloro-7-methoxy-2-thiophen-2-ylquinazoline (CID 22124920) is 4-chloro-7-methoxy-2-thiophen-2-ylquinazoline.
What is the SMILES notation for 4-chloro-7-methoxy-2-thiophen-2-ylquinazoline?
The canonical SMILES for 4-chloro-7-methoxy-2-thiophen-2-ylquinazoline is COc1ccc2c(Cl)nc(-c3cccs3)nc2c1.
What is the InChIKey of 4-chloro-7-methoxy-2-thiophen-2-ylquinazoline?
The InChIKey is XLIULZXMNWJMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS/c1-17-8-4-5-9-10(7-8)15-13(16-12(9)14)11-3-2-6-18-11/h2-7H,1H3.
What are the key properties of 4-chloro-7-methoxy-2-thiophen-2-ylquinazoline?
4-chloro-7-methoxy-2-thiophen-2-ylquinazoline has a molecular weight of 276.75 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-methoxy-2-thiophen-2-ylquinazoline is sourced from PubChem (CID 22124920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).