methyl 4-diazenylquinoline-8-carboxylate

C11H9N3O2 — CID 175138505

IUPACmethyl 4-diazenylquinoline-8-carboxylate
SMILES[H]/N=N/c1ccnc2c(C(=O)OC)cccc12
InChIInChI=1S/C11H9N3O2/c1-16-11(15)8-4-2-3-7-9(14-12)5-6-13-10(7)8/h2-6,12H,1H3/b14-12+
InChIKeyDEHFTWSUMXKQRZ-WYMLVPIESA-N
MW215.21 g/mol
LogP2.68
Rot. Bonds2

About methyl 4-diazenylquinoline-8-carboxylate

methyl 4-diazenylquinoline-8-carboxylate (PubChem CID 175138505) has the molecular formula C11H9N3O2 and a molecular weight of 215.21 g/mol. Its IUPAC name is methyl 4-diazenylquinoline-8-carboxylate.

Molecular Properties

Compound Namemethyl 4-diazenylquinoline-8-carboxylate
PubChem CID175138505
Molecular FormulaC11H9N3O2
Molecular Weight215.21 g/mol
Exact Mass215.07
IUPAC Namemethyl 4-diazenylquinoline-8-carboxylate
SMILES[H]/N=N/c1ccnc2c(C(=O)OC)cccc12
InChIInChI=1S/C11H9N3O2/c1-16-11(15)8-4-2-3-7-9(14-12)5-6-13-10(7)8/h2-6,12H,1H3/b14-12+
InChIKeyDEHFTWSUMXKQRZ-WYMLVPIESA-N
XLogP2.68
TPSA75.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 4-diazenylquinoline-8-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 8-ethylquinoline-4-carboxylate
CID 102941710
methyl 8-(2-methoxyethyl)quinoline-4-carboxylate
CID 102941832
methyl benzo[f]quinoline-7-carboxylate
CID 141374435
methyl 3-oxo-1H-[1,2]oxazolo[4,3-c]quinoline-6-carboxylate
CID 54772698
methyl 1,10-phenanthroline-4-carboxylate
CID 20679670
methyl cinnoline-8-carboxylate
CID 133080920
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-methylpyridine-3-carboxylate
CID 7015327
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
methyl 8-methylsulfanylquinoline-5-carboxylate
CID 14874964
4-methylquinoline-8-carboxylic acid
CID 12597844
methyl 3-iodo-2H-pyrazolo[4,3-b]pyridine-7-carboxylate
CID 162342553

Frequently Asked Questions

What is the IUPAC name of methyl 4-diazenylquinoline-8-carboxylate?
The IUPAC name of methyl 4-diazenylquinoline-8-carboxylate (CID 175138505) is methyl 4-diazenylquinoline-8-carboxylate.
What is the SMILES notation for methyl 4-diazenylquinoline-8-carboxylate?
The canonical SMILES for methyl 4-diazenylquinoline-8-carboxylate is [H]/N=N/c1ccnc2c(C(=O)OC)cccc12.
What is the InChIKey of methyl 4-diazenylquinoline-8-carboxylate?
The InChIKey is DEHFTWSUMXKQRZ-WYMLVPIESA-N. The full InChI is InChI=1S/C11H9N3O2/c1-16-11(15)8-4-2-3-7-9(14-12)5-6-13-10(7)8/h2-6,12H,1H3/b14-12+.
What are the key properties of methyl 4-diazenylquinoline-8-carboxylate?
methyl 4-diazenylquinoline-8-carboxylate has a molecular weight of 215.21 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-diazenylquinoline-8-carboxylate is sourced from PubChem (CID 175138505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).