[4-(4-chlorophthalazin-1-yl)-5-methylmorpholin-2-yl]methanol

C14H16ClN3O2 — CID 81208068

IUPAC[4-(4-chlorophthalazin-1-yl)-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1c1nnc(Cl)c2ccccc12
InChIInChI=1S/C14H16ClN3O2/c1-9-8-20-10(7-19)6-18(9)14-12-5-3-2-4-11(12)13(15)16-17-14/h2-5,9-10,19H,6-8H2,1H3
InChIKeyYJATWYFTBVCLLJ-UHFFFAOYSA-N
MW293.75 g/mol
LogP1.87
Rot. Bonds2

About [4-(4-chlorophthalazin-1-yl)-5-methylmorpholin-2-yl]methanol

[4-(4-chlorophthalazin-1-yl)-5-methylmorpholin-2-yl]methanol (PubChem CID 81208068) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is [4-(4-chlorophthalazin-1-yl)-5-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-chlorophthalazin-1-yl)-5-methylmorpholin-2-yl]methanol
PubChem CID81208068
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name[4-(4-chlorophthalazin-1-yl)-5-methylmorpholin-2-yl]methanol
SMILESCC1COC(CO)CN1c1nnc(Cl)c2ccccc12
InChIInChI=1S/C14H16ClN3O2/c1-9-8-20-10(7-19)6-18(9)14-12-5-3-2-4-11(12)13(15)16-17-14/h2-5,9-10,19H,6-8H2,1H3
InChIKeyYJATWYFTBVCLLJ-UHFFFAOYSA-N
XLogP1.87
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[3-(hydroxymethyl)isoquinolin-1-yl]-5-methylmorpholin-2-yl]methanol
CID 81208016
4-(4-chlorophthalazin-1-yl)-3-methylmorpholine
CID 62141543
[5-methyl-4-(4-methylphthalazin-1-yl)morpholin-2-yl]methanamine
CID 81217819
(5-methyl-4-quinolin-2-ylmorpholin-2-yl)methanol
CID 81218885
[4-(6-chloro-5-ethylpyrimidin-4-yl)-5-methylmorpholin-2-yl]methanol
CID 81208550
[4-(4-chlorophthalazin-1-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114777898
[4-(6-bromo-2-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 81208358
[4-(6-amino-2-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 81218480
[4-(2-chloro-4-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 102824323
[4-[4-(aminomethyl)-3-chloro-2-pyridinyl]-5-methylmorpholin-2-yl]methanol
CID 107055699
4-(4-chlorophthalazin-1-yl)-2-ethylmorpholine
CID 62141546
[4-(5-amino-2-pyridinyl)-5-methylmorpholin-2-yl]methanol
CID 81205999

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophthalazin-1-yl)-5-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(4-chlorophthalazin-1-yl)-5-methylmorpholin-2-yl]methanol (CID 81208068) is [4-(4-chlorophthalazin-1-yl)-5-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(4-chlorophthalazin-1-yl)-5-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(4-chlorophthalazin-1-yl)-5-methylmorpholin-2-yl]methanol is CC1COC(CO)CN1c1nnc(Cl)c2ccccc12.
What is the InChIKey of [4-(4-chlorophthalazin-1-yl)-5-methylmorpholin-2-yl]methanol?
The InChIKey is YJATWYFTBVCLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-9-8-20-10(7-19)6-18(9)14-12-5-3-2-4-11(12)13(15)16-17-14/h2-5,9-10,19H,6-8H2,1H3.
What are the key properties of [4-(4-chlorophthalazin-1-yl)-5-methylmorpholin-2-yl]methanol?
[4-(4-chlorophthalazin-1-yl)-5-methylmorpholin-2-yl]methanol has a molecular weight of 293.75 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophthalazin-1-yl)-5-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 81208068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).