methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-hydroxynaphthalene-2-carboxylate

C19H23NO4 — CID 17464328

IUPACmethyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-hydroxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc2ccccc2c(CN2CC(C)OC(C)C2)c1O
InChIInChI=1S/C19H23NO4/c1-12-9-20(10-13(2)24-12)11-17-15-7-5-4-6-14(15)8-16(18(17)21)19(22)23-3/h4-8,12-13,21H,9-11H2,1-3H3
InChIKeyBVFMMYDWYOTABL-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.94
Rot. Bonds3

About methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-hydroxynaphthalene-2-carboxylate

methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-hydroxynaphthalene-2-carboxylate (PubChem CID 17464328) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-hydroxynaphthalene-2-carboxylate
PubChem CID17464328
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Namemethyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-hydroxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc2ccccc2c(CN2CC(C)OC(C)C2)c1O
InChIInChI=1S/C19H23NO4/c1-12-9-20(10-13(2)24-12)11-17-15-7-5-4-6-14(15)8-16(18(17)21)19(22)23-3/h4-8,12-13,21H,9-11H2,1-3H3
InChIKeyBVFMMYDWYOTABL-UHFFFAOYSA-N
XLogP2.94
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-hydroxynaphthalene-2-carboxylate?
The IUPAC name of methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-hydroxynaphthalene-2-carboxylate (CID 17464328) is methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-hydroxynaphthalene-2-carboxylate is COC(=O)c1cc2ccccc2c(CN2CC(C)OC(C)C2)c1O.
What is the InChIKey of methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-hydroxynaphthalene-2-carboxylate?
The InChIKey is BVFMMYDWYOTABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-12-9-20(10-13(2)24-12)11-17-15-7-5-4-6-14(15)8-16(18(17)21)19(22)23-3/h4-8,12-13,21H,9-11H2,1-3H3.
What are the key properties of methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-hydroxynaphthalene-2-carboxylate?
methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-hydroxynaphthalene-2-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2,6-dimethylmorpholin-4-yl)methyl]-3-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 17464328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).