1-chloro-4-(3-propylpyrrolidin-1-yl)phthalazine

C15H18ClN3 — CID 113418390

IUPAC1-chloro-4-(3-propylpyrrolidin-1-yl)phthalazine
SMILESCCCC1CCN(c2nnc(Cl)c3ccccc23)C1
InChIInChI=1S/C15H18ClN3/c1-2-5-11-8-9-19(10-11)15-13-7-4-3-6-12(13)14(16)17-18-15/h3-4,6-7,11H,2,5,8-10H2,1H3
InChIKeyLIZVZODWRJDMFD-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.91
Rot. Bonds3

About 1-chloro-4-(3-propylpyrrolidin-1-yl)phthalazine

1-chloro-4-(3-propylpyrrolidin-1-yl)phthalazine (PubChem CID 113418390) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 1-chloro-4-(3-propylpyrrolidin-1-yl)phthalazine.

Molecular Properties

Compound Name1-chloro-4-(3-propylpyrrolidin-1-yl)phthalazine
PubChem CID113418390
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name1-chloro-4-(3-propylpyrrolidin-1-yl)phthalazine
SMILESCCCC1CCN(c2nnc(Cl)c3ccccc23)C1
InChIInChI=1S/C15H18ClN3/c1-2-5-11-8-9-19(10-11)15-13-7-4-3-6-12(13)14(16)17-18-15/h3-4,6-7,11H,2,5,8-10H2,1H3
InChIKeyLIZVZODWRJDMFD-UHFFFAOYSA-N
XLogP3.91
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-chlorophthalazin-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 62140804
1-chloro-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)phthalazine
CID 79165650
4-(4-chlorophthalazin-1-yl)-2-ethylmorpholine
CID 62141546
ethyl 1-(4-chlorophthalazin-1-yl)piperidine-4-carboxylate
CID 172774199
1-chloro-4-(4-propylpiperazin-1-yl)phthalazine
CID 62140608
1-(4-tert-butylpiperidin-1-yl)-4-chlorophthalazine
CID 62142535
1-chloro-4-(3-methylpiperazin-1-yl)phthalazine
CID 76610680
1-naphthalen-1-yl-3-propylpyrrolidine
CID 10376978
1-chloro-4-[4-[2-[(hydroxysulfonimidoyl)amino]ethyl]piperidin-1-yl]phthalazine
CID 168756705
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-chlorophthalazine
CID 63154781
1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-chlorophthalazine
CID 62142512
[3-fluoro-2-(3-propylpyrrolidin-1-yl)-4-pyridinyl]methanol
CID 105383174

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(3-propylpyrrolidin-1-yl)phthalazine?
The IUPAC name of 1-chloro-4-(3-propylpyrrolidin-1-yl)phthalazine (CID 113418390) is 1-chloro-4-(3-propylpyrrolidin-1-yl)phthalazine.
What is the SMILES notation for 1-chloro-4-(3-propylpyrrolidin-1-yl)phthalazine?
The canonical SMILES for 1-chloro-4-(3-propylpyrrolidin-1-yl)phthalazine is CCCC1CCN(c2nnc(Cl)c3ccccc23)C1.
What is the InChIKey of 1-chloro-4-(3-propylpyrrolidin-1-yl)phthalazine?
The InChIKey is LIZVZODWRJDMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-2-5-11-8-9-19(10-11)15-13-7-4-3-6-12(13)14(16)17-18-15/h3-4,6-7,11H,2,5,8-10H2,1H3.
What are the key properties of 1-chloro-4-(3-propylpyrrolidin-1-yl)phthalazine?
1-chloro-4-(3-propylpyrrolidin-1-yl)phthalazine has a molecular weight of 275.78 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(3-propylpyrrolidin-1-yl)phthalazine is sourced from PubChem (CID 113418390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).