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

C15H17NO3 — CID 73013849

IUPACmethyl 6-(dimethylamino)-4-methoxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(OC)c2cc(N(C)C)ccc2c1
InChIInChI=1S/C15H17NO3/c1-16(2)12-6-5-10-7-11(15(17)19-4)8-14(18-3)13(10)9-12/h5-9H,1-4H3
InChIKeyYCJWJUKFHXMAKT-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.70
Rot. Bonds3

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

methyl 6-(dimethylamino)-4-methoxynaphthalene-2-carboxylate (PubChem CID 73013849) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 6-(dimethylamino)-4-methoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(dimethylamino)-4-methoxynaphthalene-2-carboxylate
PubChem CID73013849
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl 6-(dimethylamino)-4-methoxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(OC)c2cc(N(C)C)ccc2c1
InChIInChI=1S/C15H17NO3/c1-16(2)12-6-5-10-7-11(15(17)19-4)8-14(18-3)13(10)9-12/h5-9H,1-4H3
InChIKeyYCJWJUKFHXMAKT-UHFFFAOYSA-N
XLogP2.70
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(3-hydroxy-4-methoxy-N-methylanilino)-4,5-dimethoxybenzoate
CID 71616691
methyl 1-chloro-5-methoxyisoquinoline-7-carboxylate
CID 170744620
methyl 5-chloro-6-methoxynaphthalene-2-carboxylate
CID 154003587
methyl 5-acetyloxy-4,6,7-trimethoxynaphthalene-2-carboxylate
CID 73013836
methyl 4-acetyloxy-6-bromonaphthalene-2-carboxylate
CID 73013760
methyl 4-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]benzoate
CID 170457460
methyl 4-hydroxy-5,6,8-trimethoxynaphthalene-2-carboxylate
CID 11358292
methyl 3-methoxy-4-(4-methoxyphenoxy)-5-methylbenzoate
CID 170611745
methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate
CID 122501384
methyl 4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate
CID 18981335
methyl 4-hydroxy-6-propan-2-ylnaphthalene-2-carboxylate
CID 82372367
methyl 7,8-dimethoxyquinoline-3-carboxylate
CID 166736815

Frequently Asked Questions

What is the IUPAC name of methyl 6-(dimethylamino)-4-methoxynaphthalene-2-carboxylate?
The IUPAC name of methyl 6-(dimethylamino)-4-methoxynaphthalene-2-carboxylate (CID 73013849) is methyl 6-(dimethylamino)-4-methoxynaphthalene-2-carboxylate.
What is the SMILES notation for methyl 6-(dimethylamino)-4-methoxynaphthalene-2-carboxylate?
The canonical SMILES for methyl 6-(dimethylamino)-4-methoxynaphthalene-2-carboxylate is COC(=O)c1cc(OC)c2cc(N(C)C)ccc2c1.
What is the InChIKey of methyl 6-(dimethylamino)-4-methoxynaphthalene-2-carboxylate?
The InChIKey is YCJWJUKFHXMAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-16(2)12-6-5-10-7-11(15(17)19-4)8-14(18-3)13(10)9-12/h5-9H,1-4H3.
What are the key properties of methyl 6-(dimethylamino)-4-methoxynaphthalene-2-carboxylate?
methyl 6-(dimethylamino)-4-methoxynaphthalene-2-carboxylate has a molecular weight of 259.31 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(dimethylamino)-4-methoxynaphthalene-2-carboxylate is sourced from PubChem (CID 73013849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).