4-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]phthalazin-1-amine

C21H19N3O2 — CID 51362150

IUPAC4-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]phthalazin-1-amine
SMILESCOc1ccc(-c2nnc(NCc3ccc(C)o3)c3ccccc23)cc1
InChIInChI=1S/C21H19N3O2/c1-14-7-10-17(26-14)13-22-21-19-6-4-3-5-18(19)20(23-24-21)15-8-11-16(25-2)12-9-15/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyZEOZICGXRSJVOT-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.82
Rot. Bonds5

About 4-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]phthalazin-1-amine

4-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]phthalazin-1-amine (PubChem CID 51362150) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]phthalazin-1-amine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]phthalazin-1-amine
PubChem CID51362150
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name4-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]phthalazin-1-amine
SMILESCOc1ccc(-c2nnc(NCc3ccc(C)o3)c3ccccc23)cc1
InChIInChI=1S/C21H19N3O2/c1-14-7-10-17(26-14)13-22-21-19-6-4-3-5-18(19)20(23-24-21)15-8-11-16(25-2)12-9-15/h3-12H,13H2,1-2H3,(H,22,24)
InChIKeyZEOZICGXRSJVOT-UHFFFAOYSA-N
XLogP4.82
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]phthalazin-1-amine?
The IUPAC name of 4-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]phthalazin-1-amine (CID 51362150) is 4-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]phthalazin-1-amine.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]phthalazin-1-amine?
The canonical SMILES for 4-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]phthalazin-1-amine is COc1ccc(-c2nnc(NCc3ccc(C)o3)c3ccccc23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]phthalazin-1-amine?
The InChIKey is ZEOZICGXRSJVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-14-7-10-17(26-14)13-22-21-19-6-4-3-5-18(19)20(23-24-21)15-8-11-16(25-2)12-9-15/h3-12H,13H2,1-2H3,(H,22,24).
What are the key properties of 4-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]phthalazin-1-amine?
4-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]phthalazin-1-amine has a molecular weight of 345.40 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]phthalazin-1-amine is sourced from PubChem (CID 51362150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).