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

C19H19ClN4 — CID 6412221

IUPAC1-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine
SMILESCN1CCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)CC1
InChIInChI=1S/C19H19ClN4/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
InChIKeyZDYMTKHBFSGCKG-UHFFFAOYSA-N
MW338.84 g/mol
LogP3.70
Rot. Bonds2

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

1-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine (PubChem CID 6412221) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine
PubChem CID6412221
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name1-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine
SMILESCN1CCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)CC1
InChIInChI=1S/C19H19ClN4/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
InChIKeyZDYMTKHBFSGCKG-UHFFFAOYSA-N
XLogP3.70
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 3155245
CID 3155245
CID 6404568
CID 6404568
CID 46891199
CID 46891199
CID 2953198
CID 2953198
CID 6416437
CID 6416437
CID 2952514
CID 2952514
CID 2952321
CID 2952321
CID 1069155
CID 1069155
CID 2952822
CID 2952822
CID 6408839
CID 6408839
CID 768785
CID 768785
CID 6413099
CID 6413099

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine?
The IUPAC name of 1-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine (CID 6412221) is 1-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine.
What is the SMILES notation for 1-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine?
The canonical SMILES for 1-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine is CN1CCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine?
The InChIKey is ZDYMTKHBFSGCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/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-chlorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine?
1-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine has a molecular weight of 338.84 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine is sourced from PubChem (CID 6412221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).