4-chloro-6-methoxy-1-(5-methylthiophen-2-yl)phthalazine

C14H11ClN2OS — CID 86612211

IUPAC4-chloro-6-methoxy-1-(5-methylthiophen-2-yl)phthalazine
SMILESCOc1ccc2c(-c3ccc(C)s3)nnc(Cl)c2c1
InChIInChI=1S/C14H11ClN2OS/c1-8-3-6-12(19-8)13-10-5-4-9(18-2)7-11(10)14(15)17-16-13/h3-7H,1-2H3
InChIKeyYAPZZXZSAWXQJZ-UHFFFAOYSA-N
MW290.78 g/mol
LogP4.33
Rot. Bonds2

About 4-chloro-6-methoxy-1-(5-methylthiophen-2-yl)phthalazine

4-chloro-6-methoxy-1-(5-methylthiophen-2-yl)phthalazine (PubChem CID 86612211) has the molecular formula C14H11ClN2OS and a molecular weight of 290.78 g/mol. Its IUPAC name is 4-chloro-6-methoxy-1-(5-methylthiophen-2-yl)phthalazine.

Molecular Properties

Compound Name4-chloro-6-methoxy-1-(5-methylthiophen-2-yl)phthalazine
PubChem CID86612211
Molecular FormulaC14H11ClN2OS
Molecular Weight290.78 g/mol
Exact Mass290.03
IUPAC Name4-chloro-6-methoxy-1-(5-methylthiophen-2-yl)phthalazine
SMILESCOc1ccc2c(-c3ccc(C)s3)nnc(Cl)c2c1
InChIInChI=1S/C14H11ClN2OS/c1-8-3-6-12(19-8)13-10-5-4-9(18-2)7-11(10)14(15)17-16-13/h3-7H,1-2H3
InChIKeyYAPZZXZSAWXQJZ-UHFFFAOYSA-N
XLogP4.33
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.78
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-chloro-6-methoxy-1-(5-methylthiophen-2-yl)phthalazine 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-6-methoxy-1-(5-methylthiophen-2-yl)phthalazine?
The IUPAC name of 4-chloro-6-methoxy-1-(5-methylthiophen-2-yl)phthalazine (CID 86612211) is 4-chloro-6-methoxy-1-(5-methylthiophen-2-yl)phthalazine.
What is the SMILES notation for 4-chloro-6-methoxy-1-(5-methylthiophen-2-yl)phthalazine?
The canonical SMILES for 4-chloro-6-methoxy-1-(5-methylthiophen-2-yl)phthalazine is COc1ccc2c(-c3ccc(C)s3)nnc(Cl)c2c1.
What is the InChIKey of 4-chloro-6-methoxy-1-(5-methylthiophen-2-yl)phthalazine?
The InChIKey is YAPZZXZSAWXQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2OS/c1-8-3-6-12(19-8)13-10-5-4-9(18-2)7-11(10)14(15)17-16-13/h3-7H,1-2H3.
What are the key properties of 4-chloro-6-methoxy-1-(5-methylthiophen-2-yl)phthalazine?
4-chloro-6-methoxy-1-(5-methylthiophen-2-yl)phthalazine has a molecular weight of 290.78 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-1-(5-methylthiophen-2-yl)phthalazine is sourced from PubChem (CID 86612211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).