N-(4-phenoxyphenyl)phthalazin-1-amine;hydrochloride

C20H16ClN3O — CID 44531039

IUPACN-(4-phenoxyphenyl)phthalazin-1-amine;hydrochloride
SMILESCl.c1ccc(Oc2ccc(Nc3nncc4ccccc34)cc2)cc1
InChIInChI=1S/C20H15N3O.ClH/c1-2-7-17(8-3-1)24-18-12-10-16(11-13-18)22-20-19-9-5-4-6-15(19)14-21-23-20;/h1-14H,(H,22,23);1H
InChIKeyDENJYOPKCPWUSQ-UHFFFAOYSA-N
MW349.82 g/mol
LogP5.59
Rot. Bonds4

About N-(4-phenoxyphenyl)phthalazin-1-amine;hydrochloride

N-(4-phenoxyphenyl)phthalazin-1-amine;hydrochloride (PubChem CID 44531039) has the molecular formula C20H16ClN3O and a molecular weight of 349.82 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)phthalazin-1-amine;hydrochloride.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)phthalazin-1-amine;hydrochloride
PubChem CID44531039
Molecular FormulaC20H16ClN3O
Molecular Weight349.82 g/mol
Exact Mass349.10
IUPAC NameN-(4-phenoxyphenyl)phthalazin-1-amine;hydrochloride
SMILESCl.c1ccc(Oc2ccc(Nc3nncc4ccccc34)cc2)cc1
InChIInChI=1S/C20H15N3O.ClH/c1-2-7-17(8-3-1)24-18-12-10-16(11-13-18)22-20-19-9-5-4-6-15(19)14-21-23-20;/h1-14H,(H,22,23);1H
InChIKeyDENJYOPKCPWUSQ-UHFFFAOYSA-N
XLogP5.59
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.82
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-phenoxyphenyl)phthalazin-1-amine;hydrochloride 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-phenoxyphenyl)phthalazin-1-amine;hydrochloride?
The IUPAC name of N-(4-phenoxyphenyl)phthalazin-1-amine;hydrochloride (CID 44531039) is N-(4-phenoxyphenyl)phthalazin-1-amine;hydrochloride.
What is the SMILES notation for N-(4-phenoxyphenyl)phthalazin-1-amine;hydrochloride?
The canonical SMILES for N-(4-phenoxyphenyl)phthalazin-1-amine;hydrochloride is Cl.c1ccc(Oc2ccc(Nc3nncc4ccccc34)cc2)cc1.
What is the InChIKey of N-(4-phenoxyphenyl)phthalazin-1-amine;hydrochloride?
The InChIKey is DENJYOPKCPWUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O.ClH/c1-2-7-17(8-3-1)24-18-12-10-16(11-13-18)22-20-19-9-5-4-6-15(19)14-21-23-20;/h1-14H,(H,22,23);1H.
What are the key properties of N-(4-phenoxyphenyl)phthalazin-1-amine;hydrochloride?
N-(4-phenoxyphenyl)phthalazin-1-amine;hydrochloride has a molecular weight of 349.82 g/mol, XLogP of 5.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)phthalazin-1-amine;hydrochloride is sourced from PubChem (CID 44531039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).