1-[4-(4-chlorophenyl)-6-fluorophthalazin-1-yl]-N-methylpyrrolidin-3-amine

C19H18ClFN4 — CID 134471025

IUPAC1-[4-(4-chlorophenyl)-6-fluorophthalazin-1-yl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(c2nnc(-c3ccc(Cl)cc3)c3cc(F)ccc23)C1
InChIInChI=1S/C19H18ClFN4/c1-22-15-8-9-25(11-15)19-16-7-6-14(21)10-17(16)18(23-24-19)12-2-4-13(20)5-3-12/h2-7,10,15,22H,8-9,11H2,1H3
InChIKeyJWPJYLLDUVKYHJ-UHFFFAOYSA-N
MW356.83 g/mol
LogP3.89
Rot. Bonds3

About 1-[4-(4-chlorophenyl)-6-fluorophthalazin-1-yl]-N-methylpyrrolidin-3-amine

1-[4-(4-chlorophenyl)-6-fluorophthalazin-1-yl]-N-methylpyrrolidin-3-amine (PubChem CID 134471025) has the molecular formula C19H18ClFN4 and a molecular weight of 356.83 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-6-fluorophthalazin-1-yl]-N-methylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-6-fluorophthalazin-1-yl]-N-methylpyrrolidin-3-amine
PubChem CID134471025
Molecular FormulaC19H18ClFN4
Molecular Weight356.83 g/mol
Exact Mass356.12
IUPAC Name1-[4-(4-chlorophenyl)-6-fluorophthalazin-1-yl]-N-methylpyrrolidin-3-amine
SMILESCNC1CCN(c2nnc(-c3ccc(Cl)cc3)c3cc(F)ccc23)C1
InChIInChI=1S/C19H18ClFN4/c1-22-15-8-9-25(11-15)19-16-7-6-14(21)10-17(16)18(23-24-19)12-2-4-13(20)5-3-12/h2-7,10,15,22H,8-9,11H2,1H3
InChIKeyJWPJYLLDUVKYHJ-UHFFFAOYSA-N
XLogP3.89
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-4-methylphthalazin-1-amine
CID 6416437
4-(4-chlorophenyl)-N-[2-(pyrrolidin-1-yl)ethyl]phthalazin-1-amine
CID 1069155
1-(4-Fluorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine
CID 6408839
1-(4-Chlorophenyl)-4-(4-methylpiperazin-1-yl)phthalazine
CID 6412221
US11702418, Example 10-26
CID 156527075
US11702418, Example 10-27
CID 156527081
1-Chloro-4-[8-(2,2,2-trifluoroethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]phthalazine
CID 134787820
N-[1-[4-(4-chlorophenyl)phthalazin-1-yl]pyrrolidin-3-yl]-4-fluoro-2-(trifluoromethyl)benzamide
CID 145962218
N-benzyl-4-(4-chlorophenyl)phthalazin-1-amine
CID 6405334
1-Chloro-4-(2,5-diazabicyclo[2.2.1]heptan-2-yl)phthalazine
CID 44427086
1-Phthalazinamine, N-(1-ethylpropyl)-4-phenyl-
CID 6410594
1-(4-Ethylpiperazin-1-yl)-4-(4-fluorophenyl)phthalazine
CID 6405280

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-6-fluorophthalazin-1-yl]-N-methylpyrrolidin-3-amine?
The IUPAC name of 1-[4-(4-chlorophenyl)-6-fluorophthalazin-1-yl]-N-methylpyrrolidin-3-amine (CID 134471025) is 1-[4-(4-chlorophenyl)-6-fluorophthalazin-1-yl]-N-methylpyrrolidin-3-amine.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-6-fluorophthalazin-1-yl]-N-methylpyrrolidin-3-amine?
The canonical SMILES for 1-[4-(4-chlorophenyl)-6-fluorophthalazin-1-yl]-N-methylpyrrolidin-3-amine is CNC1CCN(c2nnc(-c3ccc(Cl)cc3)c3cc(F)ccc23)C1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-6-fluorophthalazin-1-yl]-N-methylpyrrolidin-3-amine?
The InChIKey is JWPJYLLDUVKYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN4/c1-22-15-8-9-25(11-15)19-16-7-6-14(21)10-17(16)18(23-24-19)12-2-4-13(20)5-3-12/h2-7,10,15,22H,8-9,11H2,1H3.
What are the key properties of 1-[4-(4-chlorophenyl)-6-fluorophthalazin-1-yl]-N-methylpyrrolidin-3-amine?
1-[4-(4-chlorophenyl)-6-fluorophthalazin-1-yl]-N-methylpyrrolidin-3-amine has a molecular weight of 356.83 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-6-fluorophthalazin-1-yl]-N-methylpyrrolidin-3-amine is sourced from PubChem (CID 134471025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).