methyl 6-(dimethylamino)-4-hydroxynaphthalene-2-carboxylate

C14H15NO3 — CID 22463772

IUPACmethyl 6-(dimethylamino)-4-hydroxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(O)c2cc(N(C)C)ccc2c1
InChIInChI=1S/C14H15NO3/c1-15(2)11-5-4-9-6-10(14(17)18-3)7-13(16)12(9)8-11/h4-8,16H,1-3H3
InChIKeyNGYJVUQZTJCWLD-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.40
Rot. Bonds2

About methyl 6-(dimethylamino)-4-hydroxynaphthalene-2-carboxylate

methyl 6-(dimethylamino)-4-hydroxynaphthalene-2-carboxylate (PubChem CID 22463772) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 6-(dimethylamino)-4-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(dimethylamino)-4-hydroxynaphthalene-2-carboxylate
PubChem CID22463772
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namemethyl 6-(dimethylamino)-4-hydroxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(O)c2cc(N(C)C)ccc2c1
InChIInChI=1S/C14H15NO3/c1-15(2)11-5-4-9-6-10(14(17)18-3)7-13(16)12(9)8-11/h4-8,16H,1-3H3
InChIKeyNGYJVUQZTJCWLD-UHFFFAOYSA-N
XLogP2.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(dimethylamino)-4-hydroxynaphthalene-2-carboxylate?
The IUPAC name of methyl 6-(dimethylamino)-4-hydroxynaphthalene-2-carboxylate (CID 22463772) is methyl 6-(dimethylamino)-4-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for methyl 6-(dimethylamino)-4-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for methyl 6-(dimethylamino)-4-hydroxynaphthalene-2-carboxylate is COC(=O)c1cc(O)c2cc(N(C)C)ccc2c1.
What is the InChIKey of methyl 6-(dimethylamino)-4-hydroxynaphthalene-2-carboxylate?
The InChIKey is NGYJVUQZTJCWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-15(2)11-5-4-9-6-10(14(17)18-3)7-13(16)12(9)8-11/h4-8,16H,1-3H3.
What are the key properties of methyl 6-(dimethylamino)-4-hydroxynaphthalene-2-carboxylate?
methyl 6-(dimethylamino)-4-hydroxynaphthalene-2-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(dimethylamino)-4-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 22463772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).