methyl 4-phthalazin-1-ylmorpholine-3-carboxylate

C14H15N3O3 — CID 104775256

IUPACmethyl 4-phthalazin-1-ylmorpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1c1nncc2ccccc12
InChIInChI=1S/C14H15N3O3/c1-19-14(18)12-9-20-7-6-17(12)13-11-5-3-2-4-10(11)8-15-16-13/h2-5,8,12H,6-7,9H2,1H3
InChIKeyFEQDTYZKCOQOHZ-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.01
Rot. Bonds2

About methyl 4-phthalazin-1-ylmorpholine-3-carboxylate

methyl 4-phthalazin-1-ylmorpholine-3-carboxylate (PubChem CID 104775256) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 4-phthalazin-1-ylmorpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-phthalazin-1-ylmorpholine-3-carboxylate
PubChem CID104775256
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namemethyl 4-phthalazin-1-ylmorpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1c1nncc2ccccc12
InChIInChI=1S/C14H15N3O3/c1-19-14(18)12-9-20-7-6-17(12)13-11-5-3-2-4-10(11)8-15-16-13/h2-5,8,12H,6-7,9H2,1H3
InChIKeyFEQDTYZKCOQOHZ-UHFFFAOYSA-N
XLogP1.01
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(3-chloro-2-pyridinyl)morpholine-3-carboxylate
CID 104775121
methyl 4-(3-bromo-2-pyridinyl)morpholine-3-carboxylate
CID 104775122
methyl 4-(3-methylpyrazin-2-yl)morpholine-3-carboxylate
CID 104775194
methyl 4-(2-carbamothioylphenyl)morpholine-3-carboxylate
CID 104774646
methyl 4-(3-cyano-6-methyl-2-pyridinyl)morpholine-3-carboxylate
CID 104774583
methyl 4-(5-fluoropyrimidin-2-yl)morpholine-3-carboxylate
CID 104775170
methyl 4-(3,5-dioxo-2H-1,2,4-triazin-6-yl)morpholine-3-carboxylate
CID 104775327
methyl 4-(6-acetyl-3-pyridinyl)morpholine-3-carboxylate
CID 104775209
(1-phthalazin-1-ylpiperidin-4-yl) 2-methylpyrazole-3-carboxylate
CID 71974807
methyl 4-(3-methyl-5-nitro-2-pyridinyl)morpholine-3-carboxylate
CID 104775304
methyl 4-(4-chloro-1,3-thiazol-2-yl)morpholine-3-carboxylate
CID 104775148
methyl 4-(2-hydroxy-2-phenylpropyl)morpholine-3-carboxylate
CID 104775007

Frequently Asked Questions

What is the IUPAC name of methyl 4-phthalazin-1-ylmorpholine-3-carboxylate?
The IUPAC name of methyl 4-phthalazin-1-ylmorpholine-3-carboxylate (CID 104775256) is methyl 4-phthalazin-1-ylmorpholine-3-carboxylate.
What is the SMILES notation for methyl 4-phthalazin-1-ylmorpholine-3-carboxylate?
The canonical SMILES for methyl 4-phthalazin-1-ylmorpholine-3-carboxylate is COC(=O)C1COCCN1c1nncc2ccccc12.
What is the InChIKey of methyl 4-phthalazin-1-ylmorpholine-3-carboxylate?
The InChIKey is FEQDTYZKCOQOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-19-14(18)12-9-20-7-6-17(12)13-11-5-3-2-4-10(11)8-15-16-13/h2-5,8,12H,6-7,9H2,1H3.
What are the key properties of methyl 4-phthalazin-1-ylmorpholine-3-carboxylate?
methyl 4-phthalazin-1-ylmorpholine-3-carboxylate has a molecular weight of 273.29 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-phthalazin-1-ylmorpholine-3-carboxylate is sourced from PubChem (CID 104775256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).