4-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine

C20H21ClN4 — CID 1069155

IUPAC4-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine
SMILESClc1ccc(-c2nnc(NCCN3CCCC3)c3ccccc23)cc1
InChIInChI=1S/C20H21ClN4/c21-16-9-7-15(8-10-16)19-17-5-1-2-6-18(17)20(24-23-19)22-11-14-25-12-3-4-13-25/h1-2,5-10H,3-4,11-14H2,(H,22,24)
InChIKeyCGRKUVBDRMBTHL-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.46
Rot. Bonds5

About 4-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine

4-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine (PubChem CID 1069155) has the molecular formula C20H21ClN4 and a molecular weight of 352.87 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine
PubChem CID1069155
Molecular FormulaC20H21ClN4
Molecular Weight352.87 g/mol
Exact Mass352.15
IUPAC Name4-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine
SMILESClc1ccc(-c2nnc(NCCN3CCCC3)c3ccccc23)cc1
InChIInChI=1S/C20H21ClN4/c21-16-9-7-15(8-10-16)19-17-5-1-2-6-18(17)20(24-23-19)22-11-14-25-12-3-4-13-25/h1-2,5-10H,3-4,11-14H2,(H,22,24)
InChIKeyCGRKUVBDRMBTHL-UHFFFAOYSA-N
XLogP4.46
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine (CID 1069155) is 4-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine is Clc1ccc(-c2nnc(NCCN3CCCC3)c3ccccc23)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine?
The InChIKey is CGRKUVBDRMBTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4/c21-16-9-7-15(8-10-16)19-17-5-1-2-6-18(17)20(24-23-19)22-11-14-25-12-3-4-13-25/h1-2,5-10H,3-4,11-14H2,(H,22,24).
What are the key properties of 4-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine?
4-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine has a molecular weight of 352.87 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)phthalazin-1-amine is sourced from PubChem (CID 1069155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).