N-(4-chlorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine

C20H15ClN4 — CID 6326416

IUPACN-(4-chlorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine
SMILESClc1ccc(Nc2nnc(Cc3cccnc3)c3ccccc23)cc1
InChIInChI=1S/C20H15ClN4/c21-15-7-9-16(10-8-15)23-20-18-6-2-1-5-17(18)19(24-25-20)12-14-4-3-11-22-13-14/h1-11,13H,12H2,(H,23,25)
InChIKeyGNNTUYLPJHMKJZ-UHFFFAOYSA-N
MW346.82 g/mol
LogP5.01
Rot. Bonds4

About N-(4-chlorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine

N-(4-chlorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine (PubChem CID 6326416) has the molecular formula C20H15ClN4 and a molecular weight of 346.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine
PubChem CID6326416
Molecular FormulaC20H15ClN4
Molecular Weight346.82 g/mol
Exact Mass346.10
IUPAC NameN-(4-chlorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine
SMILESClc1ccc(Nc2nnc(Cc3cccnc3)c3ccccc23)cc1
InChIInChI=1S/C20H15ClN4/c21-15-7-9-16(10-8-15)23-20-18-6-2-1-5-17(18)19(24-25-20)12-14-4-3-11-22-13-14/h1-11,13H,12H2,(H,23,25)
InChIKeyGNNTUYLPJHMKJZ-UHFFFAOYSA-N
XLogP5.01
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.82
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine?
The IUPAC name of N-(4-chlorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine (CID 6326416) is N-(4-chlorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine is Clc1ccc(Nc2nnc(Cc3cccnc3)c3ccccc23)cc1.
What is the InChIKey of N-(4-chlorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine?
The InChIKey is GNNTUYLPJHMKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN4/c21-15-7-9-16(10-8-15)23-20-18-6-2-1-5-17(18)19(24-25-20)12-14-4-3-11-22-13-14/h1-11,13H,12H2,(H,23,25).
What are the key properties of N-(4-chlorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine?
N-(4-chlorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine has a molecular weight of 346.82 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-(pyridin-3-ylmethyl)phthalazin-1-amine is sourced from PubChem (CID 6326416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).