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

C21H21N3O4 — CID 3239423

IUPAC2-(4-ethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one
SMILESCCOc1ccc(-n2nc(C(=O)N3CCOCC3)c3ccccc3c2=O)cc1
InChIInChI=1S/C21H21N3O4/c1-2-28-16-9-7-15(8-10-16)24-20(25)18-6-4-3-5-17(18)19(22-24)21(26)23-11-13-27-14-12-23/h3-10H,2,11-14H2,1H3
InChIKeyDXRMGNPSOCYSAG-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.26
Rot. Bonds4

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

2-(4-ethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one (PubChem CID 3239423) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one
PubChem CID3239423
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name2-(4-ethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one
SMILESCCOc1ccc(-n2nc(C(=O)N3CCOCC3)c3ccccc3c2=O)cc1
InChIInChI=1S/C21H21N3O4/c1-2-28-16-9-7-15(8-10-16)24-20(25)18-6-4-3-5-17(18)19(22-24)21(26)23-11-13-27-14-12-23/h3-10H,2,11-14H2,1H3
InChIKeyDXRMGNPSOCYSAG-UHFFFAOYSA-N
XLogP2.26
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one?
The IUPAC name of 2-(4-ethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one (CID 3239423) is 2-(4-ethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one.
What is the SMILES notation for 2-(4-ethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one?
The canonical SMILES for 2-(4-ethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one is CCOc1ccc(-n2nc(C(=O)N3CCOCC3)c3ccccc3c2=O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one?
The InChIKey is DXRMGNPSOCYSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-2-28-16-9-7-15(8-10-16)24-20(25)18-6-4-3-5-17(18)19(22-24)21(26)23-11-13-27-14-12-23/h3-10H,2,11-14H2,1H3.
What are the key properties of 2-(4-ethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one?
2-(4-ethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one has a molecular weight of 379.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-4-(morpholine-4-carbonyl)phthalazin-1-one is sourced from PubChem (CID 3239423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).