4-(4-chlorophthalazin-1-yl)-3-methylmorpholine

C13H14ClN3O — CID 62141543

IUPAC4-(4-chlorophthalazin-1-yl)-3-methylmorpholine
SMILESCC1COCCN1c1nnc(Cl)c2ccccc12
InChIInChI=1S/C13H14ClN3O/c1-9-8-18-7-6-17(9)13-11-5-3-2-4-10(11)12(14)15-16-13/h2-5,9H,6-8H2,1H3
InChIKeyXIRMIMZLHMXUPG-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.51
Rot. Bonds1

About 4-(4-chlorophthalazin-1-yl)-3-methylmorpholine

4-(4-chlorophthalazin-1-yl)-3-methylmorpholine (PubChem CID 62141543) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 4-(4-chlorophthalazin-1-yl)-3-methylmorpholine.

Molecular Properties

Compound Name4-(4-chlorophthalazin-1-yl)-3-methylmorpholine
PubChem CID62141543
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name4-(4-chlorophthalazin-1-yl)-3-methylmorpholine
SMILESCC1COCCN1c1nnc(Cl)c2ccccc12
InChIInChI=1S/C13H14ClN3O/c1-9-8-18-7-6-17(9)13-11-5-3-2-4-10(11)12(14)15-16-13/h2-5,9H,6-8H2,1H3
InChIKeyXIRMIMZLHMXUPG-UHFFFAOYSA-N
XLogP2.51
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-chloro-4-[(2S)-2-methylpiperazin-1-yl]phthalazine
CID 174635973
[4-(4-chlorophthalazin-1-yl)-5-methylmorpholin-2-yl]methanol
CID 81208068
4-(4-chloro-1,2,5-thiadiazol-3-yl)-3-methylmorpholine
CID 43808294
6-chloro-2-(3-methylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 55185257
(3S)-4-[7-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine
CID 59703371
1-chloro-4-(3-methylpiperazin-1-yl)phthalazine
CID 76610680
1-(2-azabicyclo[2.2.1]heptan-2-yl)-4-chlorophthalazine
CID 62142512
4-[4-chloro-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]-3-methylmorpholine
CID 139520999
(3R)-4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-3-methylmorpholine
CID 164581492
4-(2-chlorothieno[3,2-d]pyrimidin-4-yl)-3-methylmorpholine
CID 72570064
(3S)-4-(2-chlorothieno[2,3-d]pyrimidin-4-yl)-3-methylmorpholine
CID 59829505
4-(4-chlorophthalazin-1-yl)-2-ethylmorpholine
CID 62141546

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophthalazin-1-yl)-3-methylmorpholine?
The IUPAC name of 4-(4-chlorophthalazin-1-yl)-3-methylmorpholine (CID 62141543) is 4-(4-chlorophthalazin-1-yl)-3-methylmorpholine.
What is the SMILES notation for 4-(4-chlorophthalazin-1-yl)-3-methylmorpholine?
The canonical SMILES for 4-(4-chlorophthalazin-1-yl)-3-methylmorpholine is CC1COCCN1c1nnc(Cl)c2ccccc12.
What is the InChIKey of 4-(4-chlorophthalazin-1-yl)-3-methylmorpholine?
The InChIKey is XIRMIMZLHMXUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O/c1-9-8-18-7-6-17(9)13-11-5-3-2-4-10(11)12(14)15-16-13/h2-5,9H,6-8H2,1H3.
What are the key properties of 4-(4-chlorophthalazin-1-yl)-3-methylmorpholine?
4-(4-chlorophthalazin-1-yl)-3-methylmorpholine has a molecular weight of 263.73 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophthalazin-1-yl)-3-methylmorpholine is sourced from PubChem (CID 62141543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).