4-(4-chlorophenyl)-N-(3-methoxycyclobutyl)phthalazin-1-amine

C19H18ClN3O — CID 169230232

IUPAC4-(4-chlorophenyl)-N-(3-methoxycyclobutyl)phthalazin-1-amine
SMILESCOC1CC(Nc2nnc(-c3ccc(Cl)cc3)c3ccccc23)C1
InChIInChI=1S/C19H18ClN3O/c1-24-15-10-14(11-15)21-19-17-5-3-2-4-16(17)18(22-23-19)12-6-8-13(20)9-7-12/h2-9,14-15H,10-11H2,1H3,(H,21,23)
InChIKeyARHISMLWMWPKNH-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.54
Rot. Bonds4

About 4-(4-chlorophenyl)-N-(3-methoxycyclobutyl)phthalazin-1-amine

4-(4-chlorophenyl)-N-(3-methoxycyclobutyl)phthalazin-1-amine (PubChem CID 169230232) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(3-methoxycyclobutyl)phthalazin-1-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(3-methoxycyclobutyl)phthalazin-1-amine
PubChem CID169230232
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name4-(4-chlorophenyl)-N-(3-methoxycyclobutyl)phthalazin-1-amine
SMILESCOC1CC(Nc2nnc(-c3ccc(Cl)cc3)c3ccccc23)C1
InChIInChI=1S/C19H18ClN3O/c1-24-15-10-14(11-15)21-19-17-5-3-2-4-16(17)18(22-23-19)12-6-8-13(20)9-7-12/h2-9,14-15H,10-11H2,1H3,(H,21,23)
InChIKeyARHISMLWMWPKNH-UHFFFAOYSA-N
XLogP4.54
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-chlorophenyl)-N-(3-methoxycyclobutyl)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 4-(4-chlorophenyl)-N-(3-methoxycyclobutyl)phthalazin-1-amine?
The IUPAC name of 4-(4-chlorophenyl)-N-(3-methoxycyclobutyl)phthalazin-1-amine (CID 169230232) is 4-(4-chlorophenyl)-N-(3-methoxycyclobutyl)phthalazin-1-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(3-methoxycyclobutyl)phthalazin-1-amine?
The canonical SMILES for 4-(4-chlorophenyl)-N-(3-methoxycyclobutyl)phthalazin-1-amine is COC1CC(Nc2nnc(-c3ccc(Cl)cc3)c3ccccc23)C1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(3-methoxycyclobutyl)phthalazin-1-amine?
The InChIKey is ARHISMLWMWPKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-24-15-10-14(11-15)21-19-17-5-3-2-4-16(17)18(22-23-19)12-6-8-13(20)9-7-12/h2-9,14-15H,10-11H2,1H3,(H,21,23).
What are the key properties of 4-(4-chlorophenyl)-N-(3-methoxycyclobutyl)phthalazin-1-amine?
4-(4-chlorophenyl)-N-(3-methoxycyclobutyl)phthalazin-1-amine has a molecular weight of 339.83 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(3-methoxycyclobutyl)phthalazin-1-amine is sourced from PubChem (CID 169230232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).