methyl 5-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-hydroxynaphthalene-2-carboxylate

C21H21NO4 — CID 129144685

IUPACmethyl 5-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-hydroxynaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(-c3c(N)cc(C)c(OC)c3C)c(O)ccc2c1
InChIInChI=1S/C21H21NO4/c1-11-9-16(22)18(12(2)20(11)25-3)19-15-7-5-14(21(24)26-4)10-13(15)6-8-17(19)23/h5-10,23H,22H2,1-4H3
InChIKeyRJLHGRHFQGXEGK-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.21
Rot. Bonds3

About methyl 5-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-hydroxynaphthalene-2-carboxylate

methyl 5-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-hydroxynaphthalene-2-carboxylate (PubChem CID 129144685) has the molecular formula C21H21NO4 and a molecular weight of 351.40 g/mol. Its IUPAC name is methyl 5-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-hydroxynaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-hydroxynaphthalene-2-carboxylate
PubChem CID129144685
Molecular FormulaC21H21NO4
Molecular Weight351.40 g/mol
Exact Mass351.15
IUPAC Namemethyl 5-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-hydroxynaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(-c3c(N)cc(C)c(OC)c3C)c(O)ccc2c1
InChIInChI=1S/C21H21NO4/c1-11-9-16(22)18(12(2)20(11)25-3)19-15-7-5-14(21(24)26-4)10-13(15)6-8-17(19)23/h5-10,23H,22H2,1-4H3
InChIKeyRJLHGRHFQGXEGK-UHFFFAOYSA-N
XLogP4.21
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze methyl 5-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-hydroxynaphthalene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-hydroxy-5-[2-hydroxy-3,6-dimethyl-5-[(4-methylphenyl)sulfonylamino]phenyl]naphthalene-2-carboxylate
CID 129144123
methyl 8-hydroxy-5-methylnaphthalene-2-carboxylate
CID 177113788
methyl 1-(6-hydroxy-3-methoxy-2,4-dimethylphenyl)naphthalene-2-carboxylate
CID 134941672
ethane;ethene;methyl 5-ethyl-6-hydroxynaphthalene-2-carboxylate
CID 144537002
methyl 4-amino-3-methoxybenzoate
CID 602411
methanamine;methyl 3-amino-4-methylbenzoate
CID 164531340
ethane;methyl 3-amino-4-methylbenzoate
CID 142981906
dimethyl naphthalene-2,6-dicarboxylate;1,3-dimethylnaphthalene-2,6-dicarboxylic acid
CID 159775814
methyl 5-chloro-6-methoxynaphthalene-2-carboxylate
CID 154003587
methyl 6-hydroxy-5-nitronaphthalene-2-carboxylate;methyl 7-hydroxy-8-nitronaphthalene-2-carboxylate
CID 87753572
methyl 4-hydroxy-3-methylbenzoate;propane
CID 145380615
methyl 6-(3,4-dihydroxyphenyl)naphthalene-2-carboxylate
CID 122191871

Frequently Asked Questions

What is the IUPAC name of methyl 5-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-hydroxynaphthalene-2-carboxylate?
The IUPAC name of methyl 5-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-hydroxynaphthalene-2-carboxylate (CID 129144685) is methyl 5-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-hydroxynaphthalene-2-carboxylate.
What is the SMILES notation for methyl 5-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-hydroxynaphthalene-2-carboxylate?
The canonical SMILES for methyl 5-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-hydroxynaphthalene-2-carboxylate is COC(=O)c1ccc2c(-c3c(N)cc(C)c(OC)c3C)c(O)ccc2c1.
What is the InChIKey of methyl 5-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-hydroxynaphthalene-2-carboxylate?
The InChIKey is RJLHGRHFQGXEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO4/c1-11-9-16(22)18(12(2)20(11)25-3)19-15-7-5-14(21(24)26-4)10-13(15)6-8-17(19)23/h5-10,23H,22H2,1-4H3.
What are the key properties of methyl 5-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-hydroxynaphthalene-2-carboxylate?
methyl 5-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-hydroxynaphthalene-2-carboxylate has a molecular weight of 351.40 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(6-amino-3-methoxy-2,4-dimethylphenyl)-6-hydroxynaphthalene-2-carboxylate is sourced from PubChem (CID 129144685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).