methyl 4-azido-6-chloro-7-fluoroquinoline-3-carboxylate

C11H6ClFN4O2 — CID 102614732

IUPACmethyl 4-azido-6-chloro-7-fluoroquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2cc(F)c(Cl)cc2c1N=[N+]=[N-]
InChIInChI=1S/C11H6ClFN4O2/c1-19-11(18)6-4-15-9-3-8(13)7(12)2-5(9)10(6)16-17-14/h2-4H,1H3
InChIKeyCPHSJSDYHIYSLP-UHFFFAOYSA-N
MW280.65 g/mol
LogP3.76
Rot. Bonds2

About methyl 4-azido-6-chloro-7-fluoroquinoline-3-carboxylate

methyl 4-azido-6-chloro-7-fluoroquinoline-3-carboxylate (PubChem CID 102614732) has the molecular formula C11H6ClFN4O2 and a molecular weight of 280.65 g/mol. Its IUPAC name is methyl 4-azido-6-chloro-7-fluoroquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-azido-6-chloro-7-fluoroquinoline-3-carboxylate
PubChem CID102614732
Molecular FormulaC11H6ClFN4O2
Molecular Weight280.65 g/mol
Exact Mass280.02
IUPAC Namemethyl 4-azido-6-chloro-7-fluoroquinoline-3-carboxylate
SMILESCOC(=O)c1cnc2cc(F)c(Cl)cc2c1N=[N+]=[N-]
InChIInChI=1S/C11H6ClFN4O2/c1-19-11(18)6-4-15-9-3-8(13)7(12)2-5(9)10(6)16-17-14/h2-4H,1H3
InChIKeyCPHSJSDYHIYSLP-UHFFFAOYSA-N
XLogP3.76
TPSA87.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.65
LogP ≤ 53.76
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'}

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Related Compounds

methyl 4-azido-5,6,7-trifluoroquinoline-3-carboxylate
CID 102614678
methyl 4-azido-6-propan-2-ylquinoline-3-carboxylate
CID 102614625
methyl 4-azido-6-fluoro-8-methoxyquinoline-3-carboxylate
CID 102614668
methyl 4-azido-6-bromo-7,8-dichloroquinoline-3-carboxylate
CID 107792746
methyl 4-azido-7-bromo-1,8-naphthyridine-3-carboxylate
CID 102941646
methyl 4-azido-6-bromo-5,7-dimethylquinoline-3-carboxylate
CID 107577355
methyl 4-chloro-5,6,7-trifluoroquinoline-3-carboxylate
CID 102614483
ethyl 4-amino-6-chloro-7-fluoroquinoline-3-carboxylate
CID 103996712
methyl 4-azido-5-(4-azido-6-chloro-5-methoxycarbonyl-3-pyridinyl)-2-chloropyridine-3-carboxylate
CID 177042774
methyl 4-azido-8-tert-butylquinoline-3-carboxylate
CID 102614686
methyl 4-chloro-5-fluoro-2-hydroxybenzoate
CID 131313356
methyl 4-chloro-6,7-dimethoxyquinoline-3-carboxylate
CID 102614410

Frequently Asked Questions

What is the IUPAC name of methyl 4-azido-6-chloro-7-fluoroquinoline-3-carboxylate?
The IUPAC name of methyl 4-azido-6-chloro-7-fluoroquinoline-3-carboxylate (CID 102614732) is methyl 4-azido-6-chloro-7-fluoroquinoline-3-carboxylate.
What is the SMILES notation for methyl 4-azido-6-chloro-7-fluoroquinoline-3-carboxylate?
The canonical SMILES for methyl 4-azido-6-chloro-7-fluoroquinoline-3-carboxylate is COC(=O)c1cnc2cc(F)c(Cl)cc2c1N=[N+]=[N-].
What is the InChIKey of methyl 4-azido-6-chloro-7-fluoroquinoline-3-carboxylate?
The InChIKey is CPHSJSDYHIYSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN4O2/c1-19-11(18)6-4-15-9-3-8(13)7(12)2-5(9)10(6)16-17-14/h2-4H,1H3.
What are the key properties of methyl 4-azido-6-chloro-7-fluoroquinoline-3-carboxylate?
methyl 4-azido-6-chloro-7-fluoroquinoline-3-carboxylate has a molecular weight of 280.65 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-azido-6-chloro-7-fluoroquinoline-3-carboxylate is sourced from PubChem (CID 102614732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).