methyl 2-(4-azidophenyl)quinoline-4-carboxylate

C17H12N4O2 — CID 169325072

IUPACmethyl 2-(4-azidophenyl)quinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(N=[N+]=[N-])cc2)nc2ccccc12
InChIInChI=1S/C17H12N4O2/c1-23-17(22)14-10-16(19-15-5-3-2-4-13(14)15)11-6-8-12(9-7-11)20-21-18/h2-10H,1H3
InChIKeyQJHRAASHDWPDAZ-UHFFFAOYSA-N
MW304.31 g/mol
LogP4.63
Rot. Bonds3

About methyl 2-(4-azidophenyl)quinoline-4-carboxylate

methyl 2-(4-azidophenyl)quinoline-4-carboxylate (PubChem CID 169325072) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is methyl 2-(4-azidophenyl)quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-azidophenyl)quinoline-4-carboxylate
PubChem CID169325072
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC Namemethyl 2-(4-azidophenyl)quinoline-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(N=[N+]=[N-])cc2)nc2ccccc12
InChIInChI=1S/C17H12N4O2/c1-23-17(22)14-10-16(19-15-5-3-2-4-13(14)15)11-6-8-12(9-7-11)20-21-18/h2-10H,1H3
InChIKeyQJHRAASHDWPDAZ-UHFFFAOYSA-N
XLogP4.63
TPSA87.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

Analyze methyl 2-(4-azidophenyl)quinoline-4-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 2-(4-isocyanatophenyl)quinoline-4-carboxylate
CID 169352943
methyl 2-(4-bromophenyl)quinoline-4-carboxylate
CID 874713
methyl 2-(4-propylphenyl)quinoline-4-carboxylate
CID 841962
2-(3-azidophenyl)quinoline-4-carboxylic acid
CID 169325154
methyl 2-[4-(furan-2-yl)phenyl]quinoline-4-carboxylate
CID 168525532
2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate
CID 3109026
methyl 2-(4-methylnaphthalen-1-yl)quinoline-4-carboxylate
CID 91689285
(4-methoxycarbonylphenyl)methyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3995735
2-oxopropyl 2-(4-phenylphenyl)quinoline-4-carboxylate
CID 3948184
(2-methoxyphenyl) 2-phenylquinoline-4-carboxylate
CID 1128700
triethylplumbyl 2-phenylquinoline-4-carboxylate
CID 16683347
(4-methoxycarbonylphenyl)methyl 2-phenylquinoline-4-carboxylate
CID 7866939

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-azidophenyl)quinoline-4-carboxylate?
The IUPAC name of methyl 2-(4-azidophenyl)quinoline-4-carboxylate (CID 169325072) is methyl 2-(4-azidophenyl)quinoline-4-carboxylate.
What is the SMILES notation for methyl 2-(4-azidophenyl)quinoline-4-carboxylate?
The canonical SMILES for methyl 2-(4-azidophenyl)quinoline-4-carboxylate is COC(=O)c1cc(-c2ccc(N=[N+]=[N-])cc2)nc2ccccc12.
What is the InChIKey of methyl 2-(4-azidophenyl)quinoline-4-carboxylate?
The InChIKey is QJHRAASHDWPDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c1-23-17(22)14-10-16(19-15-5-3-2-4-13(14)15)11-6-8-12(9-7-11)20-21-18/h2-10H,1H3.
What are the key properties of methyl 2-(4-azidophenyl)quinoline-4-carboxylate?
methyl 2-(4-azidophenyl)quinoline-4-carboxylate has a molecular weight of 304.31 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-azidophenyl)quinoline-4-carboxylate is sourced from PubChem (CID 169325072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).