3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxamide

C24H21N3O4 — CID 5130607

IUPAC3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCc3ccccc3OC)c3ccccc3c2=O)cc1
InChIInChI=1S/C24H21N3O4/c1-30-18-13-11-17(12-14-18)27-24(29)20-9-5-4-8-19(20)22(26-27)23(28)25-15-16-7-3-6-10-21(16)31-2/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeyVSPFRFMHEWOMLF-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.33
Rot. Bonds6

About 3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxamide

3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxamide (PubChem CID 5130607) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxamide
PubChem CID5130607
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)NCc3ccccc3OC)c3ccccc3c2=O)cc1
InChIInChI=1S/C24H21N3O4/c1-30-18-13-11-17(12-14-18)27-24(29)20-9-5-4-8-19(20)22(26-27)23(28)25-15-16-7-3-6-10-21(16)31-2/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeyVSPFRFMHEWOMLF-UHFFFAOYSA-N
XLogP3.33
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxamide (CID 5130607) is 3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxamide is COc1ccc(-n2nc(C(=O)NCc3ccccc3OC)c3ccccc3c2=O)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxamide?
The InChIKey is VSPFRFMHEWOMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-30-18-13-11-17(12-14-18)27-24(29)20-9-5-4-8-19(20)22(26-27)23(28)25-15-16-7-3-6-10-21(16)31-2/h3-14H,15H2,1-2H3,(H,25,28).
What are the key properties of 3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxamide?
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 5130607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).