2,6-dimethyl-4-(4-phenylphthalazin-1-yl)morpholine

C20H21N3O — CID 6414356

IUPAC2,6-dimethyl-4-(4-phenylphthalazin-1-yl)morpholine
SMILESCC1CN(c2nnc(-c3ccccc3)c3ccccc23)CC(C)O1
InChIInChI=1S/C20H21N3O/c1-14-12-23(13-15(2)24-14)20-18-11-7-6-10-17(18)19(21-22-20)16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3
InChIKeyXMYLUYJMMPSMNS-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.91
Rot. Bonds2

About 2,6-dimethyl-4-(4-phenylphthalazin-1-yl)morpholine

2,6-dimethyl-4-(4-phenylphthalazin-1-yl)morpholine (PubChem CID 6414356) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2,6-dimethyl-4-(4-phenylphthalazin-1-yl)morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-(4-phenylphthalazin-1-yl)morpholine
PubChem CID6414356
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2,6-dimethyl-4-(4-phenylphthalazin-1-yl)morpholine
SMILESCC1CN(c2nnc(-c3ccccc3)c3ccccc23)CC(C)O1
InChIInChI=1S/C20H21N3O/c1-14-12-23(13-15(2)24-14)20-18-11-7-6-10-17(18)19(21-22-20)16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3
InChIKeyXMYLUYJMMPSMNS-UHFFFAOYSA-N
XLogP3.91
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-4-[4-(4-methylphenyl)phthalazin-1-yl]morpholine
CID 6418527
4-(3,6-diphenyl-1,2,4-triazin-5-yl)-2,6-dimethylmorpholine
CID 6415168
1-(2-methyl-4-phenylpiperazin-1-yl)-4-phenylphthalazine
CID 91098863
1-(4-methylpiperazin-1-yl)-4-phenylphthalazine;hydrochloride
CID 45261463
4-(2,6-dimethylmorpholin-4-yl)-2H-phthalazin-1-one
CID 12689529
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 2005114
(2R,6R)-4-[2-(4-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine
CID 1181449
2,6-dimethyl-4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)morpholine
CID 3937786
N-methyl-4-(4-phenylphthalazin-1-yl)piperazine-1-carboxamide
CID 123439855
2-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-methylphthalazin-1-yl]-5-(trifluoromethyl)phenol
CID 171104180
(3S,5R)-5-methyl-3-(4-phenylphthalazin-1-yl)sulfanyloxolan-2-one
CID 41321095
4-[2-(2-chlorophenyl)quinazolin-4-yl]-2,6-dimethylmorpholine
CID 23828257

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(4-phenylphthalazin-1-yl)morpholine?
The IUPAC name of 2,6-dimethyl-4-(4-phenylphthalazin-1-yl)morpholine (CID 6414356) is 2,6-dimethyl-4-(4-phenylphthalazin-1-yl)morpholine.
What is the SMILES notation for 2,6-dimethyl-4-(4-phenylphthalazin-1-yl)morpholine?
The canonical SMILES for 2,6-dimethyl-4-(4-phenylphthalazin-1-yl)morpholine is CC1CN(c2nnc(-c3ccccc3)c3ccccc23)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-4-(4-phenylphthalazin-1-yl)morpholine?
The InChIKey is XMYLUYJMMPSMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14-12-23(13-15(2)24-14)20-18-11-7-6-10-17(18)19(21-22-20)16-8-4-3-5-9-16/h3-11,14-15H,12-13H2,1-2H3.
What are the key properties of 2,6-dimethyl-4-(4-phenylphthalazin-1-yl)morpholine?
2,6-dimethyl-4-(4-phenylphthalazin-1-yl)morpholine has a molecular weight of 319.41 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(4-phenylphthalazin-1-yl)morpholine is sourced from PubChem (CID 6414356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).