N-(4-chlorophenyl)-4-(1-pyridin-4-ylethyl)phthalazin-1-amine

C21H17ClN4 — CID 6326422

IUPACN-(4-chlorophenyl)-4-(1-pyridin-4-ylethyl)phthalazin-1-amine
SMILESCC(c1ccncc1)c1nnc(Nc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C21H17ClN4/c1-14(15-10-12-23-13-11-15)20-18-4-2-3-5-19(18)21(26-25-20)24-17-8-6-16(22)7-9-17/h2-14H,1H3,(H,24,26)
InChIKeyAFECIUCRUIZUKP-UHFFFAOYSA-N
MW360.85 g/mol
LogP5.57
Rot. Bonds4

About N-(4-chlorophenyl)-4-(1-pyridin-4-ylethyl)phthalazin-1-amine

N-(4-chlorophenyl)-4-(1-pyridin-4-ylethyl)phthalazin-1-amine (PubChem CID 6326422) has the molecular formula C21H17ClN4 and a molecular weight of 360.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-(1-pyridin-4-ylethyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-(1-pyridin-4-ylethyl)phthalazin-1-amine
PubChem CID6326422
Molecular FormulaC21H17ClN4
Molecular Weight360.85 g/mol
Exact Mass360.11
IUPAC NameN-(4-chlorophenyl)-4-(1-pyridin-4-ylethyl)phthalazin-1-amine
SMILESCC(c1ccncc1)c1nnc(Nc2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C21H17ClN4/c1-14(15-10-12-23-13-11-15)20-18-4-2-3-5-19(18)21(26-25-20)24-17-8-6-16(22)7-9-17/h2-14H,1H3,(H,24,26)
InChIKeyAFECIUCRUIZUKP-UHFFFAOYSA-N
XLogP5.57
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 ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-chlorophenyl)-4-(1-pyridin-4-ylethyl)phthalazin-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-(1-pyridin-4-ylethyl)phthalazin-1-amine?
The IUPAC name of N-(4-chlorophenyl)-4-(1-pyridin-4-ylethyl)phthalazin-1-amine (CID 6326422) is N-(4-chlorophenyl)-4-(1-pyridin-4-ylethyl)phthalazin-1-amine.
What is the SMILES notation for N-(4-chlorophenyl)-4-(1-pyridin-4-ylethyl)phthalazin-1-amine?
The canonical SMILES for N-(4-chlorophenyl)-4-(1-pyridin-4-ylethyl)phthalazin-1-amine is CC(c1ccncc1)c1nnc(Nc2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of N-(4-chlorophenyl)-4-(1-pyridin-4-ylethyl)phthalazin-1-amine?
The InChIKey is AFECIUCRUIZUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4/c1-14(15-10-12-23-13-11-15)20-18-4-2-3-5-19(18)21(26-25-20)24-17-8-6-16(22)7-9-17/h2-14H,1H3,(H,24,26).
What are the key properties of N-(4-chlorophenyl)-4-(1-pyridin-4-ylethyl)phthalazin-1-amine?
N-(4-chlorophenyl)-4-(1-pyridin-4-ylethyl)phthalazin-1-amine has a molecular weight of 360.85 g/mol, XLogP of 5.57, 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-(1-pyridin-4-ylethyl)phthalazin-1-amine is sourced from PubChem (CID 6326422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).