1-chloro-4-[4-(3-methylphenyl)piperazin-1-yl]phthalazine

C19H19ClN4 — CID 15124641

IUPAC1-chloro-4-[4-(3-methylphenyl)piperazin-1-yl]phthalazine
SMILESCc1cccc(N2CCN(c3nnc(Cl)c4ccccc34)CC2)c1
InChIInChI=1S/C19H19ClN4/c1-14-5-4-6-15(13-14)23-9-11-24(12-10-23)19-17-8-3-2-7-16(17)18(20)21-22-19/h2-8,13H,9-12H2,1H3
InChIKeyUDNNRTIFEBBSCI-UHFFFAOYSA-N
MW338.84 g/mol
LogP3.92
Rot. Bonds2

About 1-chloro-4-[4-(3-methylphenyl)piperazin-1-yl]phthalazine

1-chloro-4-[4-(3-methylphenyl)piperazin-1-yl]phthalazine (PubChem CID 15124641) has the molecular formula C19H19ClN4 and a molecular weight of 338.84 g/mol. Its IUPAC name is 1-chloro-4-[4-(3-methylphenyl)piperazin-1-yl]phthalazine.

Molecular Properties

Compound Name1-chloro-4-[4-(3-methylphenyl)piperazin-1-yl]phthalazine
PubChem CID15124641
Molecular FormulaC19H19ClN4
Molecular Weight338.84 g/mol
Exact Mass338.13
IUPAC Name1-chloro-4-[4-(3-methylphenyl)piperazin-1-yl]phthalazine
SMILESCc1cccc(N2CCN(c3nnc(Cl)c4ccccc34)CC2)c1
InChIInChI=1S/C19H19ClN4/c1-14-5-4-6-15(13-14)23-9-11-24(12-10-23)19-17-8-3-2-7-16(17)18(20)21-22-19/h2-8,13H,9-12H2,1H3
InChIKeyUDNNRTIFEBBSCI-UHFFFAOYSA-N
XLogP3.92
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 ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-4-(4-propylpiperazin-1-yl)phthalazine
CID 62140608
4,5-dimethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
CID 154829084
2-chloro-4-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
CID 62477783
1-(3,5-dimethylpyrazol-1-yl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]phthalazine
CID 22433550
1,1-dimethyl-4-(3-methylphenyl)piperazin-1-ium iodide
CID 11099608
2-chloro-6-[4-(3-methylphenyl)piperazin-1-yl]pyridin-4-amine
CID 104918819
5-bromo-4-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine
CID 66343054
1-methyl-4-(3-methylphenyl)-1,4-diazepane
CID 118420862
[1-(4-chlorophthalazin-1-yl)piperidin-4-yl]carbamic acid
CID 87338891
ethyl 1-(4-chlorophthalazin-1-yl)piperidine-4-carboxylate
CID 172774199
1-(3-methylphenyl)piperidine;propane
CID 143942273
N-methyl-4-[4-(3-methylphenyl)piperazin-1-yl]aniline
CID 112722053

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[4-(3-methylphenyl)piperazin-1-yl]phthalazine?
The IUPAC name of 1-chloro-4-[4-(3-methylphenyl)piperazin-1-yl]phthalazine (CID 15124641) is 1-chloro-4-[4-(3-methylphenyl)piperazin-1-yl]phthalazine.
What is the SMILES notation for 1-chloro-4-[4-(3-methylphenyl)piperazin-1-yl]phthalazine?
The canonical SMILES for 1-chloro-4-[4-(3-methylphenyl)piperazin-1-yl]phthalazine is Cc1cccc(N2CCN(c3nnc(Cl)c4ccccc34)CC2)c1.
What is the InChIKey of 1-chloro-4-[4-(3-methylphenyl)piperazin-1-yl]phthalazine?
The InChIKey is UDNNRTIFEBBSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4/c1-14-5-4-6-15(13-14)23-9-11-24(12-10-23)19-17-8-3-2-7-16(17)18(20)21-22-19/h2-8,13H,9-12H2,1H3.
What are the key properties of 1-chloro-4-[4-(3-methylphenyl)piperazin-1-yl]phthalazine?
1-chloro-4-[4-(3-methylphenyl)piperazin-1-yl]phthalazine has a molecular weight of 338.84 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[4-(3-methylphenyl)piperazin-1-yl]phthalazine is sourced from PubChem (CID 15124641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).