N-(3,4-dichlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine

C20H14Cl2N4 — CID 6419392

IUPACN-(3,4-dichlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
SMILESClc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1Cl
InChIInChI=1S/C20H14Cl2N4/c21-17-6-5-14(12-18(17)22)24-20-16-4-2-1-3-15(16)19(25-26-20)11-13-7-9-23-10-8-13/h1-10,12H,11H2,(H,24,26)
InChIKeyUIFQBRNVJVUAKO-UHFFFAOYSA-N
MW381.27 g/mol
LogP5.67
Rot. Bonds4

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

N-(3,4-dichlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine (PubChem CID 6419392) has the molecular formula C20H14Cl2N4 and a molecular weight of 381.27 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
PubChem CID6419392
Molecular FormulaC20H14Cl2N4
Molecular Weight381.27 g/mol
Exact Mass380.06
IUPAC NameN-(3,4-dichlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine
SMILESClc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1Cl
InChIInChI=1S/C20H14Cl2N4/c21-17-6-5-14(12-18(17)22)24-20-16-4-2-1-3-15(16)19(25-26-20)11-13-7-9-23-10-8-13/h1-10,12H,11H2,(H,24,26)
InChIKeyUIFQBRNVJVUAKO-UHFFFAOYSA-N
XLogP5.67
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.27
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3,4-dichlorophenyl)-4-(pyridin-4-ylmethyl)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

Related Compounds

Vatalanib
CID 151194
6,7-dichloro-N-cyclopentyl-4-(pyridin-4-yl)phthalazin-1-amine
CID 117072548
Vatalanib Succinate
CID 151193
Vatalanib dihydrochloride
CID 22386467
N-(4-chlorophenyl)-4-(pyrimidin-4-ylmethyl)phthalazin-1-amine
CID 6326418
N-(4-chlorophenyl)-4-[(2-methylpyridin-4-yl)methyl]phthalazin-1-amine
CID 6326419
N-(4-chlorophenyl)-4-[1-(pyridin-4-yl)ethyl]phthalazin-1-amine
CID 6326422
1-N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)phthalazine-1,7-diamine
CID 6419378
N-(4-chlorophenyl)-1-(pyridin-4-ylmethyl)pyrido[3,4-d]pyridazin-4-amine
CID 6419381
N-(4-chlorophenyl)-4-(pyridin-4-ylmethyl)pyrido[3,4-d]pyridazin-1-amine
CID 6419382
N-(4-chlorophenyl)-8-(pyridin-4-ylmethyl)pyrido[2,3-d]pyridazin-5-amine
CID 6419383
N-(4-chlorophenyl)-4,5-dimethyl-6-(pyridin-4-ylmethyl)pyridazin-3-amine
CID 6419385

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine (CID 6419392) is N-(3,4-dichlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine is Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1Cl.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
The InChIKey is UIFQBRNVJVUAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14Cl2N4/c21-17-6-5-14(12-18(17)22)24-20-16-4-2-1-3-15(16)19(25-26-20)11-13-7-9-23-10-8-13/h1-10,12H,11H2,(H,24,26).
What are the key properties of N-(3,4-dichlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine?
N-(3,4-dichlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine has a molecular weight of 381.27 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-(pyridin-4-ylmethyl)phthalazin-1-amine is sourced from PubChem (CID 6419392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).