N-(4-chlorophenyl)-4-[(2-methyl-4-pyridinyl)methyl]phthalazin-1-amine

C21H17ClN4 — CID 6326419

IUPACN-(4-chlorophenyl)-4-[(2-methyl-4-pyridinyl)methyl]phthalazin-1-amine
SMILESCc1cc(Cc2nnc(Nc3ccc(Cl)cc3)c3ccccc23)ccn1
InChIInChI=1S/C21H17ClN4/c1-14-12-15(10-11-23-14)13-20-18-4-2-3-5-19(18)21(26-25-20)24-17-8-6-16(22)7-9-17/h2-12H,13H2,1H3,(H,24,26)
InChIKeyZQIINWWMLNWZKD-UHFFFAOYSA-N
MW360.85 g/mol
LogP5.32
Rot. Bonds4

About N-(4-chlorophenyl)-4-[(2-methyl-4-pyridinyl)methyl]phthalazin-1-amine

N-(4-chlorophenyl)-4-[(2-methyl-4-pyridinyl)methyl]phthalazin-1-amine (PubChem CID 6326419) has the molecular formula C21H17ClN4 and a molecular weight of 360.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[(2-methyl-4-pyridinyl)methyl]phthalazin-1-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[(2-methyl-4-pyridinyl)methyl]phthalazin-1-amine
PubChem CID6326419
Molecular FormulaC21H17ClN4
Molecular Weight360.85 g/mol
Exact Mass360.11
IUPAC NameN-(4-chlorophenyl)-4-[(2-methyl-4-pyridinyl)methyl]phthalazin-1-amine
SMILESCc1cc(Cc2nnc(Nc3ccc(Cl)cc3)c3ccccc23)ccn1
InChIInChI=1S/C21H17ClN4/c1-14-12-15(10-11-23-14)13-20-18-4-2-3-5-19(18)21(26-25-20)24-17-8-6-16(22)7-9-17/h2-12H,13H2,1H3,(H,24,26)
InChIKeyZQIINWWMLNWZKD-UHFFFAOYSA-N
XLogP5.32
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.85
LogP ≤ 55.32
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-[(2-methyl-4-pyridinyl)methyl]phthalazin-1-amine?
The IUPAC name of N-(4-chlorophenyl)-4-[(2-methyl-4-pyridinyl)methyl]phthalazin-1-amine (CID 6326419) is N-(4-chlorophenyl)-4-[(2-methyl-4-pyridinyl)methyl]phthalazin-1-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-[(2-methyl-4-pyridinyl)methyl]phthalazin-1-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-[(2-methyl-4-pyridinyl)methyl]phthalazin-1-amine is Cc1cc(Cc2nnc(Nc3ccc(Cl)cc3)c3ccccc23)ccn1.
What is the InChIKey of N-(4-chlorophenyl)-4-[(2-methyl-4-pyridinyl)methyl]phthalazin-1-amine?
The InChIKey is ZQIINWWMLNWZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4/c1-14-12-15(10-11-23-14)13-20-18-4-2-3-5-19(18)21(26-25-20)24-17-8-6-16(22)7-9-17/h2-12H,13H2,1H3,(H,24,26).
What are the key properties of N-(4-chlorophenyl)-4-[(2-methyl-4-pyridinyl)methyl]phthalazin-1-amine?
N-(4-chlorophenyl)-4-[(2-methyl-4-pyridinyl)methyl]phthalazin-1-amine has a molecular weight of 360.85 g/mol, XLogP of 5.32, 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-[(2-methyl-4-pyridinyl)methyl]phthalazin-1-amine is sourced from PubChem (CID 6326419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).