4-chloro-6-methoxy-1-(4-methylphenyl)phthalazine

C16H13ClN2O — CID 86612224

IUPAC4-chloro-6-methoxy-1-(4-methylphenyl)phthalazine
SMILESCOc1ccc2c(-c3ccc(C)cc3)nnc(Cl)c2c1
InChIInChI=1S/C16H13ClN2O/c1-10-3-5-11(6-4-10)15-13-8-7-12(20-2)9-14(13)16(17)19-18-15/h3-9H,1-2H3
InChIKeyQHZQLVYBQQFUJC-UHFFFAOYSA-N
MW284.75 g/mol
LogP4.27
Rot. Bonds2

About 4-chloro-6-methoxy-1-(4-methylphenyl)phthalazine

4-chloro-6-methoxy-1-(4-methylphenyl)phthalazine (PubChem CID 86612224) has the molecular formula C16H13ClN2O and a molecular weight of 284.75 g/mol. Its IUPAC name is 4-chloro-6-methoxy-1-(4-methylphenyl)phthalazine.

Molecular Properties

Compound Name4-chloro-6-methoxy-1-(4-methylphenyl)phthalazine
PubChem CID86612224
Molecular FormulaC16H13ClN2O
Molecular Weight284.75 g/mol
Exact Mass284.07
IUPAC Name4-chloro-6-methoxy-1-(4-methylphenyl)phthalazine
SMILESCOc1ccc2c(-c3ccc(C)cc3)nnc(Cl)c2c1
InChIInChI=1S/C16H13ClN2O/c1-10-3-5-11(6-4-10)15-13-8-7-12(20-2)9-14(13)16(17)19-18-15/h3-9H,1-2H3
InChIKeyQHZQLVYBQQFUJC-UHFFFAOYSA-N
XLogP4.27
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-1-(4-methylphenyl)phthalazine?
The IUPAC name of 4-chloro-6-methoxy-1-(4-methylphenyl)phthalazine (CID 86612224) is 4-chloro-6-methoxy-1-(4-methylphenyl)phthalazine.
What is the SMILES notation for 4-chloro-6-methoxy-1-(4-methylphenyl)phthalazine?
The canonical SMILES for 4-chloro-6-methoxy-1-(4-methylphenyl)phthalazine is COc1ccc2c(-c3ccc(C)cc3)nnc(Cl)c2c1.
What is the InChIKey of 4-chloro-6-methoxy-1-(4-methylphenyl)phthalazine?
The InChIKey is QHZQLVYBQQFUJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O/c1-10-3-5-11(6-4-10)15-13-8-7-12(20-2)9-14(13)16(17)19-18-15/h3-9H,1-2H3.
What are the key properties of 4-chloro-6-methoxy-1-(4-methylphenyl)phthalazine?
4-chloro-6-methoxy-1-(4-methylphenyl)phthalazine has a molecular weight of 284.75 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-1-(4-methylphenyl)phthalazine is sourced from PubChem (CID 86612224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).