4-chloro-5-methoxy-2-thiophen-2-ylquinazoline

C13H9ClN2OS — CID 22124922

IUPAC4-chloro-5-methoxy-2-thiophen-2-ylquinazoline
SMILESCOc1cccc2nc(-c3cccs3)nc(Cl)c12
InChIInChI=1S/C13H9ClN2OS/c1-17-9-5-2-4-8-11(9)12(14)16-13(15-8)10-6-3-7-18-10/h2-7H,1H3
InChIKeyOZHCILQBTWUTGL-UHFFFAOYSA-N
MW276.75 g/mol
LogP4.02
Rot. Bonds2

About 4-chloro-5-methoxy-2-thiophen-2-ylquinazoline

4-chloro-5-methoxy-2-thiophen-2-ylquinazoline (PubChem CID 22124922) has the molecular formula C13H9ClN2OS and a molecular weight of 276.75 g/mol. Its IUPAC name is 4-chloro-5-methoxy-2-thiophen-2-ylquinazoline.

Molecular Properties

Compound Name4-chloro-5-methoxy-2-thiophen-2-ylquinazoline
PubChem CID22124922
Molecular FormulaC13H9ClN2OS
Molecular Weight276.75 g/mol
Exact Mass276.01
IUPAC Name4-chloro-5-methoxy-2-thiophen-2-ylquinazoline
SMILESCOc1cccc2nc(-c3cccs3)nc(Cl)c12
InChIInChI=1S/C13H9ClN2OS/c1-17-9-5-2-4-8-11(9)12(14)16-13(15-8)10-6-3-7-18-10/h2-7H,1H3
InChIKeyOZHCILQBTWUTGL-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

Analyze 4-chloro-5-methoxy-2-thiophen-2-ylquinazoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methoxy-2-thiophen-2-ylquinazoline?
The IUPAC name of 4-chloro-5-methoxy-2-thiophen-2-ylquinazoline (CID 22124922) is 4-chloro-5-methoxy-2-thiophen-2-ylquinazoline.
What is the SMILES notation for 4-chloro-5-methoxy-2-thiophen-2-ylquinazoline?
The canonical SMILES for 4-chloro-5-methoxy-2-thiophen-2-ylquinazoline is COc1cccc2nc(-c3cccs3)nc(Cl)c12.
What is the InChIKey of 4-chloro-5-methoxy-2-thiophen-2-ylquinazoline?
The InChIKey is OZHCILQBTWUTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2OS/c1-17-9-5-2-4-8-11(9)12(14)16-13(15-8)10-6-3-7-18-10/h2-7H,1H3.
What are the key properties of 4-chloro-5-methoxy-2-thiophen-2-ylquinazoline?
4-chloro-5-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-5-methoxy-2-thiophen-2-ylquinazoline is sourced from PubChem (CID 22124922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).