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

C19H19FN4 — CID 6408839

IUPAC1-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine
SMILESCN1CCN(c2nnc(-c3ccc(F)cc3)c3ccccc23)CC1
InChIInChI=1S/C19H19FN4/c1-23-10-12-24(13-11-23)19-17-5-3-2-4-16(17)18(21-22-19)14-6-8-15(20)9-7-14/h2-9H,10-13H2,1H3
InChIKeyLCICPWRFDHPLQI-UHFFFAOYSA-N
MW322.39 g/mol
LogP3.19
Rot. Bonds2

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

1-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine (PubChem CID 6408839) has the molecular formula C19H19FN4 and a molecular weight of 322.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine
PubChem CID6408839
Molecular FormulaC19H19FN4
Molecular Weight322.39 g/mol
Exact Mass322.16
IUPAC Name1-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine
SMILESCN1CCN(c2nnc(-c3ccc(F)cc3)c3ccccc23)CC1
InChIInChI=1S/C19H19FN4/c1-23-10-12-24(13-11-23)19-17-5-3-2-4-16(17)18(21-22-19)14-6-8-15(20)9-7-14/h2-9H,10-13H2,1H3
InChIKeyLCICPWRFDHPLQI-UHFFFAOYSA-N
XLogP3.19
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine?
The IUPAC name of 1-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine (CID 6408839) is 1-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine.
What is the SMILES notation for 1-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine?
The canonical SMILES for 1-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine is CN1CCN(c2nnc(-c3ccc(F)cc3)c3ccccc23)CC1.
What is the InChIKey of 1-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine?
The InChIKey is LCICPWRFDHPLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4/c1-23-10-12-24(13-11-23)19-17-5-3-2-4-16(17)18(21-22-19)14-6-8-15(20)9-7-14/h2-9H,10-13H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine?
1-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine has a molecular weight of 322.39 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine is sourced from PubChem (CID 6408839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).