2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one

C20H19N3O4 — CID 4256699

IUPAC2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one
SMILESCOc1ccc(-n2nc(C(=O)N3CCOCC3)c3ccccc3c2=O)cc1
InChIInChI=1S/C20H19N3O4/c1-26-15-8-6-14(7-9-15)23-19(24)17-5-3-2-4-16(17)18(21-23)20(25)22-10-12-27-13-11-22/h2-9H,10-13H2,1H3
InChIKeyIMUPVXINBOTWLH-UHFFFAOYSA-N
MW365.39 g/mol
LogP1.87
Rot. Bonds3

About 2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one

2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one (PubChem CID 4256699) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one
PubChem CID4256699
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one
SMILESCOc1ccc(-n2nc(C(=O)N3CCOCC3)c3ccccc3c2=O)cc1
InChIInChI=1S/C20H19N3O4/c1-26-15-8-6-14(7-9-15)23-19(24)17-5-3-2-4-16(17)18(21-23)20(25)22-10-12-27-13-11-22/h2-9H,10-13H2,1H3
InChIKeyIMUPVXINBOTWLH-UHFFFAOYSA-N
XLogP1.87
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one?
The IUPAC name of 2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one (CID 4256699) is 2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one?
The canonical SMILES for 2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one is COc1ccc(-n2nc(C(=O)N3CCOCC3)c3ccccc3c2=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one?
The InChIKey is IMUPVXINBOTWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-26-15-8-6-14(7-9-15)23-19(24)17-5-3-2-4-16(17)18(21-23)20(25)22-10-12-27-13-11-22/h2-9H,10-13H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one?
2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one has a molecular weight of 365.39 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one is sourced from PubChem (CID 4256699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).