methyl 4-azido-6-fluoro-8-methoxyquinoline-3-carboxylate

C12H9FN4O3 — CID 102614668

IUPACmethyl 4-azido-6-fluoro-8-methoxyquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2c(OC)cc(F)cc2c1N=[N+]=[N-]
InChIInChI=1S/C12H9FN4O3/c1-19-9-4-6(13)3-7-10(16-17-14)8(12(18)20-2)5-15-11(7)9/h3-5H,1-2H3
InChIKeyFSUFBUPRCQYEHE-UHFFFAOYSA-N
MW276.23 g/mol
LogP3.11
Rot. Bonds3

About methyl 4-azido-6-fluoro-8-methoxyquinoline-3-carboxylate

methyl 4-azido-6-fluoro-8-methoxyquinoline-3-carboxylate (PubChem CID 102614668) has the molecular formula C12H9FN4O3 and a molecular weight of 276.23 g/mol. Its IUPAC name is methyl 4-azido-6-fluoro-8-methoxyquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-azido-6-fluoro-8-methoxyquinoline-3-carboxylate
PubChem CID102614668
Molecular FormulaC12H9FN4O3
Molecular Weight276.23 g/mol
Exact Mass276.07
IUPAC Namemethyl 4-azido-6-fluoro-8-methoxyquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2c(OC)cc(F)cc2c1N=[N+]=[N-]
InChIInChI=1S/C12H9FN4O3/c1-19-9-4-6(13)3-7-10(16-17-14)8(12(18)20-2)5-15-11(7)9/h3-5H,1-2H3
InChIKeyFSUFBUPRCQYEHE-UHFFFAOYSA-N
XLogP3.11
TPSA97.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.23
LogP ≤ 53.11
H-Bond Donors ≤ 50
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 4-amino-6-fluoro-8-methoxyquinoline-3-carboxylate
CID 102614869
methyl 4-azido-6-bromo-7,8-dichloroquinoline-3-carboxylate
CID 107792746
methyl 4-azido-6-chloro-7-fluoroquinoline-3-carboxylate
CID 102614732
methyl 4-azido-5,6,7-trifluoroquinoline-3-carboxylate
CID 102614678
methyl 4-azido-8-tert-butylquinoline-3-carboxylate
CID 102614686
methyl 4-azido-7-bromo-1,8-naphthyridine-3-carboxylate
CID 102941646
methyl 8-bromo-4-chloro-6-fluoroquinoline-3-carboxylate
CID 102614453
methyl 2,5-difluoro-3-methoxybenzoate
CID 130786948
methyl 4-amino-8-bromo-6-fluoroquinoline-3-carboxylate
CID 102614854
6-fluoro-8-methoxyquinoline-4-carboxylic acid
CID 102941769
methyl 4-azido-6-bromo-5,7-dimethylquinoline-3-carboxylate
CID 107577355
methyl 4,6-dichloro-5,8-dimethoxyquinoline-3-carboxylate
CID 102614449

Frequently Asked Questions

What is the IUPAC name of methyl 4-azido-6-fluoro-8-methoxyquinoline-3-carboxylate?
The IUPAC name of methyl 4-azido-6-fluoro-8-methoxyquinoline-3-carboxylate (CID 102614668) is methyl 4-azido-6-fluoro-8-methoxyquinoline-3-carboxylate.
What is the SMILES notation for methyl 4-azido-6-fluoro-8-methoxyquinoline-3-carboxylate?
The canonical SMILES for methyl 4-azido-6-fluoro-8-methoxyquinoline-3-carboxylate is COC(=O)c1cnc2c(OC)cc(F)cc2c1N=[N+]=[N-].
What is the InChIKey of methyl 4-azido-6-fluoro-8-methoxyquinoline-3-carboxylate?
The InChIKey is FSUFBUPRCQYEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O3/c1-19-9-4-6(13)3-7-10(16-17-14)8(12(18)20-2)5-15-11(7)9/h3-5H,1-2H3.
What are the key properties of methyl 4-azido-6-fluoro-8-methoxyquinoline-3-carboxylate?
methyl 4-azido-6-fluoro-8-methoxyquinoline-3-carboxylate has a molecular weight of 276.23 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-azido-6-fluoro-8-methoxyquinoline-3-carboxylate is sourced from PubChem (CID 102614668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).