4-[4-(4-ethoxyphenyl)phthalazin-1-yl]morpholine

C20H21N3O2 — CID 6401111

IUPAC4-[4-(4-ethoxyphenyl)phthalazin-1-yl]morpholine
SMILESCCOc1ccc(-c2nnc(N3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C20H21N3O2/c1-2-25-16-9-7-15(8-10-16)19-17-5-3-4-6-18(17)20(22-21-19)23-11-13-24-14-12-23/h3-10H,2,11-14H2,1H3
InChIKeyHYWPOGUSCHXXKY-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.53
Rot. Bonds4

About 4-[4-(4-ethoxyphenyl)phthalazin-1-yl]morpholine

4-[4-(4-ethoxyphenyl)phthalazin-1-yl]morpholine (PubChem CID 6401111) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-[4-(4-ethoxyphenyl)phthalazin-1-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-ethoxyphenyl)phthalazin-1-yl]morpholine
PubChem CID6401111
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-[4-(4-ethoxyphenyl)phthalazin-1-yl]morpholine
SMILESCCOc1ccc(-c2nnc(N3CCOCC3)c3ccccc23)cc1
InChIInChI=1S/C20H21N3O2/c1-2-25-16-9-7-15(8-10-16)19-17-5-3-4-6-18(17)20(22-21-19)23-11-13-24-14-12-23/h3-10H,2,11-14H2,1H3
InChIKeyHYWPOGUSCHXXKY-UHFFFAOYSA-N
XLogP3.53
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethoxyphenyl)phthalazin-1-yl]morpholine?
The IUPAC name of 4-[4-(4-ethoxyphenyl)phthalazin-1-yl]morpholine (CID 6401111) is 4-[4-(4-ethoxyphenyl)phthalazin-1-yl]morpholine.
What is the SMILES notation for 4-[4-(4-ethoxyphenyl)phthalazin-1-yl]morpholine?
The canonical SMILES for 4-[4-(4-ethoxyphenyl)phthalazin-1-yl]morpholine is CCOc1ccc(-c2nnc(N3CCOCC3)c3ccccc23)cc1.
What is the InChIKey of 4-[4-(4-ethoxyphenyl)phthalazin-1-yl]morpholine?
The InChIKey is HYWPOGUSCHXXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-2-25-16-9-7-15(8-10-16)19-17-5-3-4-6-18(17)20(22-21-19)23-11-13-24-14-12-23/h3-10H,2,11-14H2,1H3.
What are the key properties of 4-[4-(4-ethoxyphenyl)phthalazin-1-yl]morpholine?
4-[4-(4-ethoxyphenyl)phthalazin-1-yl]morpholine has a molecular weight of 335.41 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethoxyphenyl)phthalazin-1-yl]morpholine is sourced from PubChem (CID 6401111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).