8-(4-fluorophenyl)-1-(3-methylpiperazin-1-yl)phthalazine

C19H19FN4 — CID 67413363

IUPAC8-(4-fluorophenyl)-1-(3-methylpiperazin-1-yl)phthalazine
SMILESCC1CN(c2nncc3cccc(-c4ccc(F)cc4)c23)CCN1
InChIInChI=1S/C19H19FN4/c1-13-12-24(10-9-21-13)19-18-15(11-22-23-19)3-2-4-17(18)14-5-7-16(20)8-6-14/h2-8,11,13,21H,9-10,12H2,1H3
InChIKeyBOOPCMVKHAJRHU-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.23
Rot. Bonds2

About 8-(4-fluorophenyl)-1-(3-methylpiperazin-1-yl)phthalazine

8-(4-fluorophenyl)-1-(3-methylpiperazin-1-yl)phthalazine (PubChem CID 67413363) has the molecular formula C19H19FN4 and a molecular weight of 322.39 g/mol. Its IUPAC name is 8-(4-fluorophenyl)-1-(3-methylpiperazin-1-yl)phthalazine.

Molecular Properties

Compound Name8-(4-fluorophenyl)-1-(3-methylpiperazin-1-yl)phthalazine
PubChem CID67413363
Molecular FormulaC19H19FN4
Molecular Weight322.39 g/mol
Exact Mass322.16
IUPAC Name8-(4-fluorophenyl)-1-(3-methylpiperazin-1-yl)phthalazine
SMILESCC1CN(c2nncc3cccc(-c4ccc(F)cc4)c23)CCN1
InChIInChI=1S/C19H19FN4/c1-13-12-24(10-9-21-13)19-18-15(11-22-23-19)3-2-4-17(18)14-5-7-16(20)8-6-14/h2-8,11,13,21H,9-10,12H2,1H3
InChIKeyBOOPCMVKHAJRHU-UHFFFAOYSA-N
XLogP3.23
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(4-fluorophenyl)-1-(3-methylpiperazin-1-yl)phthalazine?
The IUPAC name of 8-(4-fluorophenyl)-1-(3-methylpiperazin-1-yl)phthalazine (CID 67413363) is 8-(4-fluorophenyl)-1-(3-methylpiperazin-1-yl)phthalazine.
What is the SMILES notation for 8-(4-fluorophenyl)-1-(3-methylpiperazin-1-yl)phthalazine?
The canonical SMILES for 8-(4-fluorophenyl)-1-(3-methylpiperazin-1-yl)phthalazine is CC1CN(c2nncc3cccc(-c4ccc(F)cc4)c23)CCN1.
What is the InChIKey of 8-(4-fluorophenyl)-1-(3-methylpiperazin-1-yl)phthalazine?
The InChIKey is BOOPCMVKHAJRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4/c1-13-12-24(10-9-21-13)19-18-15(11-22-23-19)3-2-4-17(18)14-5-7-16(20)8-6-14/h2-8,11,13,21H,9-10,12H2,1H3.
What are the key properties of 8-(4-fluorophenyl)-1-(3-methylpiperazin-1-yl)phthalazine?
8-(4-fluorophenyl)-1-(3-methylpiperazin-1-yl)phthalazine has a molecular weight of 322.39 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-fluorophenyl)-1-(3-methylpiperazin-1-yl)phthalazine is sourced from PubChem (CID 67413363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).