methyl 3-azido-4-(2-methoxyanilino)benzoate

C15H14N4O3 — CID 169326171

IUPACmethyl 3-azido-4-(2-methoxyanilino)benzoate
SMILESCOC(=O)c1ccc(Nc2ccccc2OC)c(N=[N+]=[N-])c1
InChIInChI=1S/C15H14N4O3/c1-21-14-6-4-3-5-12(14)17-11-8-7-10(15(20)22-2)9-13(11)18-19-16/h3-9,17H,1-2H3
InChIKeyIQRJYMATHQZEQL-UHFFFAOYSA-N
MW298.30 g/mol
LogP4.17
Rot. Bonds5

About methyl 3-azido-4-(2-methoxyanilino)benzoate

methyl 3-azido-4-(2-methoxyanilino)benzoate (PubChem CID 169326171) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is methyl 3-azido-4-(2-methoxyanilino)benzoate.

Molecular Properties

Compound Namemethyl 3-azido-4-(2-methoxyanilino)benzoate
PubChem CID169326171
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Namemethyl 3-azido-4-(2-methoxyanilino)benzoate
SMILESCOC(=O)c1ccc(Nc2ccccc2OC)c(N=[N+]=[N-])c1
InChIInChI=1S/C15H14N4O3/c1-21-14-6-4-3-5-12(14)17-11-8-7-10(15(20)22-2)9-13(11)18-19-16/h3-9,17H,1-2H3
InChIKeyIQRJYMATHQZEQL-UHFFFAOYSA-N
XLogP4.17
TPSA96.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

methyl 3-azido-4-hydroxybenzoate
CID 62706001
methyl 3-methoxy-4-(2-methylanilino)benzoate
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methane;methyl 3-azido-4-methylbenzoate
CID 167548243
methyl 3-azido-4-chlorobenzoate
CID 71512911
methyl 4-(acetamidomethyl)-3-azidobenzoate
CID 123335878
methyl 4-[[6-(2-methoxyanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878293
3-amino-4-(2-methoxyanilino)-N-(2-methoxyethyl)benzamide
CID 100629126
methyl 3-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-(2-methoxyanilino)benzoate
CID 168581674
methyl 4-[(2-azidobenzoyl)amino]benzoate
CID 102433026
3-amino-4-(2-methoxyanilino)-N-propylbenzamide
CID 100629061
methyl 4-(3-methoxy-2-methylanilino)benzoate
CID 69185509
methyl 4-[[4-(2-methoxyanilino)pyrimidin-2-yl]amino]benzoate
CID 112904543

Frequently Asked Questions

What is the IUPAC name of methyl 3-azido-4-(2-methoxyanilino)benzoate?
The IUPAC name of methyl 3-azido-4-(2-methoxyanilino)benzoate (CID 169326171) is methyl 3-azido-4-(2-methoxyanilino)benzoate.
What is the SMILES notation for methyl 3-azido-4-(2-methoxyanilino)benzoate?
The canonical SMILES for methyl 3-azido-4-(2-methoxyanilino)benzoate is COC(=O)c1ccc(Nc2ccccc2OC)c(N=[N+]=[N-])c1.
What is the InChIKey of methyl 3-azido-4-(2-methoxyanilino)benzoate?
The InChIKey is IQRJYMATHQZEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-21-14-6-4-3-5-12(14)17-11-8-7-10(15(20)22-2)9-13(11)18-19-16/h3-9,17H,1-2H3.
What are the key properties of methyl 3-azido-4-(2-methoxyanilino)benzoate?
methyl 3-azido-4-(2-methoxyanilino)benzoate has a molecular weight of 298.30 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-azido-4-(2-methoxyanilino)benzoate is sourced from PubChem (CID 169326171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).